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(-)Asym./Biol. Unit
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(-) Description

Title :  STRUCTURE OF NUCLEASE IN COMPLEX WITH ASSOCIATED PROTEIN
 
Authors :  D. Dong, M. Guo, S. Wang, Y. Zhu, Z. Huang
Date :  20 Mar 17  (Deposition) - 14 Jun 17  (Release) - 05 Jul 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  3.05
Chains :  Asym./Biol. Unit :  A,B,D
Keywords :  Nuclease, Hydrolase-Rna Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  M. Guo, S. Wang, Y. Zhu, S. Wang, Z. Xiong, J. Yang, Z. Xu, Z. Huang
Structural Basis Of Crispr-Spycas9 Inhibition By An Anti-Crispr Protein
Nature V. 546 436 2017
PubMed-ID: 28448066  |  Reference-DOI: 10.1038/NATURE22377

(-) Compounds

Molecule 1 - CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1
    Chains: A
    EC Number: 3.1.-.-
    Engineered: YES
    Expression System: ESCHERICHIA COLI K-12
    Expression System Strain: K-12
    Expression System Taxid: 83333
    Gene: CAS9, CSN1, SPY_1046
    Organism Scientific: STREPTOCOCCUS PYOGENES SEROTYPE M1
    Organism Taxid: 301447
    Synonym: SPCAS9,SPYCAS9
 
Molecule 2 - ASSOCIATED PROTEIN
    Chains: D
    Engineered: YES
    Expression System: ESCHERICHIA COLI K-12
    Expression System Strain: K-12
    Expression System Taxid: 83333
    Organism Scientific: LISTERIA MONOCYTOGENES
    Organism Taxid: 1639
 
Molecule 3 - RNA (98-MER)
    Chains: B
    Engineered: YES
    Organism Scientific: STREPTOCOCCUS PYOGENES
    Organism Taxid: 1314
    Synthetic: YES

 Structural Features

(-) Chains, Units

  123
Asymmetric/Biological Unit : ABD

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (0, 0)

(no "Ligand,Modified Residues,Ions" information available for 5XBL)

(-) Sites  (0, 0)

(no "Site" information available for 5XBL)

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5XBL)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 5XBL)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5XBL)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5XBL)

(-) Exons   (0, 0)

(no "Exon" information available for 5XBL)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:1320
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                         
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author ...eeeeee...eeeeeee.......eeeeeeee.....eeeee.eeeee......hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.....hhhhhh..................hhhhhhhhhhhh.hhhhhhhhhhhh....hhhhhhhhhhhhhhh..........hhhhhhhhhhhhhhhhhhhhhh...........hhhhhh...hhhhhhhhhhhh......hhhhhhhhhhh.....hhhhhh............hhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhhhhh.....hhhhhhhhhhhhhhhhhhhhhhhhhh.....hhhhhhh.....hhhhhhh...hhhhhhhhhhhhhhh......hhhhhhh........hhhhhhhhhhhhhhhhhhhhhhhhh.hhhhhhhhhhhhhhhhh..............................hhhhhhhhhhhhhhhhhhhh..........eee..hhhhhhhhhhhhhh........hhhhhhhhh.......hhhhhhhhh............hhhhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh.hhhhhhhhhhhhh...hhhhhhhhhh.....eeeeehhhhh........hhhhhhhh.........hhhhh...hhhhhh.....hhhhhhhhhhhhhhhhhhhhhh......eeeee.........hhhhhhhhhhhhhhhhhh.hhhhhh..hhhhhhhhhhhhhhhh....................eee..........hhh.eee..hhhhhh......hhhhhhhhhhhhhhhhhh...hhhhhhhhhhhhhh..hhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh.............eeee.hhhhhhhhhhhhh.........hhhhhhhhhhhhhhhhhhhhhhhhhhhh................................hhhhh...eee.....eee...ee.........ee..hhhhhhhhhh.....eeee.........ee...........................eee.eeeeeeeeeeeee....eeeeeeeeeeeehhhhhhhh.hhhhhhh...ee.......eee...eeee.....eeeeee..eeee......hhhhhhhhhhhhh......hhhhhhhhhhhhhh.hhhhhhhhhhhhhhhh....hhhhhhhhhhhhhhh...hhhhhhhhhh.hhhhhh......eee..eee........hhhhh.eeeee......eeeee.hhh. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                5xbl A    3 KKYSIGLDIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALLFDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLEESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLRLIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPINASGVDAKAILSARLSKSRRLENLIAQLPEKKNGLFGNLIALSLGLTPNFKSNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILLSDILRVITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFFDQSKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRKQRTFDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYVGPLARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNLPNEKVLPKHSLLYEYFTVYNELTKVKYLSGEQKKAIVDLLFKTNRKVTVKQLKEDYFKKIECFDFNASLGTYHDLLKIIKDKDFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLKRRRYTGWGRLSRKLINGIRDKSGKTILDFLKSDGFANRNFMEDIQKAGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPENIVIEMARENQTGQKNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQNGRDMYVDQELDINRLSDYDVDHIVPQSFLKDDSIDNKVLTRSDKNRGKSDNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGFIKRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDFRKDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGDYKVYDVRKMIAKSEQEIGKATAKYFFYSNIMNFFKTEITLANGEIRKRPLIETNGETGEIVWDKGRDFATVRKVLSMPQVNIVKKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKKYGGFDSPTVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKGYKEVKKDLIIKLPKYSLFELENGRKRMLASAGELQKGNELALPSKYVNFLYLASHYEKLKGSPEDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILADANLDKVLSAYNKHRDKPIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRKRYTSTKEVLDATLIHQSITGLYETRIDLSQLG 1366
                                    12        22        32        42        52        62        72        82        92       102       112       122       132       142       152       162       172       182       192       202       212       222       233       243       253       263       273       283       293       303    || 316       326       336       346       356       366       376       386       396       406       416       426       436       446       456       466       476       486       496       506       516       526  ||   546       556       566       576|      596       606       616       626       636       646       656       666      |677       687      |708  ||   723       733       743       753       763     ||776       786       796       806       816       826       836       846       856       866       876       886       896       906       916       926       936       946       956       966       976       986       996      1006      1016      1026      1036      1046      1056      1066      1076      1086      1096      1106      1116      1126      1136      1146      1156      1166      1176      1186      1196      1206      1216      1226      1236      1246      1256      1266      1276      1286      1296      1306      1316      1326      1336      1346      1356      1366
                                                                                                                                                                                                                                                             230|                                                                         308|                                                                                                                                                                                                                      529|                                 576|                                                                                   673|                694|  711|                                                 769|                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 
                                                                                                                                                                                                                                                              232                                                                          312                                                                                                                                                                                                                       540                                  587                                                                                    675                 706   717                                                  773                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 


Chain B from PDB  Type:RNA  Length:88
                                                                                                                         
                5xbl B   11 UGCGCUUGGCGUUUUAGAGCUAGAAAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGCUU   98
                                    20        30        40        50        60        70        80        90        


Chain D from PDB  Type:PROTEIN  Length:81
                                                                                                                  
               SCOP domains --------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhh......ee.......eeeee......eeeee.....hhhhhhhhhhh..........hhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------- Transcript
                5xbl D    1 MNINDLIREIKNKDYTVLSGTDSNSITQLIIRVNNDGNEYVISESENESIVEKFISAFKNGWNQEYEDEEEFYNDMQTITL   82
                                    10      ||21        31        41        51        61        71        81 
                                           17|                                                               
                                            19
   Legend:   → Mismatch (orange background)
  - → Gap (green background, '-', border residues have a numbering label)
    → Modified Residue (blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
  x → Chemical Group (purple background, 'x', labelled with number + name, e.g. ACE or NH2)
  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 5XBL)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5XBL)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5XBL)

(-) Gene Ontology  (12, 12)

Asymmetric/Biological Unit(hide GO term definitions)

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(no "Cis Peptide Bonds" information available for 5xbl)
 

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  5xbl
    Family and Domain Information: ProDom | SYSTERS
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    Orientation in Membranes: OPM
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    Secondary Structure: DSSP (structure derived) | HSSP (homology derived)
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  CAS9_STRP1 | Q99ZW2
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  3.1.-.-
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 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/Swiss-Prot
        CAS9_STRP1 | Q99ZW2: 4cmp 4cmq 4oo8 4un3 4un4 4un5 4zt0 4zt9 5b2r 5b2s 5b2t 5f9r 5fq5 5fw1 5fw2 5fw3 5vw1

(-) Related Entries Specified in the PDB File

(no "Related Entries Specified in the PDB File" available for 5XBL)