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(-) Description

Title :  CRYSTAL STRUCTURE OF THE COMPETENCE DAMAGE-INDUCIBLE PROTEIN A (COMA) FROM KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAE MGH 78578
 
Authors :  D. Borek, Z. Wawrzak, S. Grimshaw, J. Sandoval, E. Evdokimova, A. Savch W. F. Anderson, Center For Structural Genomics Of Infectious D (Csgid)
Date :  28 Feb 17  (Deposition) - 15 Mar 17  (Release) - 15 Mar 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.30
Chains :  Asym./Biol. Unit :  A,B
Keywords :  Cina Family, Structural Genomics, Center For Structural Genomics Of Infectious Diseases, Csgid, Structural Genomics Unknown Function (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  D. Borek
Crystal Structure Of The Competence Damage-Inducible Protei A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - COMPETENCE DAMAGE-INDUCIBLE PROTEIN A
    Chains: A, B
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PMCSG53
    Expression System Strain: BL21(DE3)-MAGIC
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Gene: YDEJ, KPN_01597
    Organism Scientific: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAE (STRAIN ATCC 700721 / MGH 78578)
    Organism Taxid: 272620
    Strain: ATCC 700721 / MGH 78578

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit : AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 13)

Asymmetric/Biological Unit (3, 13)
No.NameCountTypeFull Name
1CL10Ligand/IonCHLORIDE ION
2CSO1Mod. ResidueS-HYDROXYCYSTEINE
3NA2Ligand/IonSODIUM ION

(-) Sites  (12, 12)

Asymmetric Unit (12, 12)
No.NameEvidenceResiduesDescription
01AC1SOFTWAREASN A:40 , HOH A:335 , HOH A:447 , ALA B:43 , ALA B:47binding site for residue CL A 201
02AC2SOFTWAREGLU A:76binding site for residue CL A 202
03AC3SOFTWARESER A:163 , HOH A:379 , HOH A:397binding site for residue NA A 203
04AC4SOFTWARESER B:35 , PHE B:62 , HOH B:414binding site for residue CL B 202
05AC5SOFTWAREALA B:17 , GLU B:118 , ASP B:119binding site for residue CL B 203
06AC6SOFTWAREHIS B:81binding site for residue CL B 204
07AC7SOFTWAREGLN B:72 , GLY B:95 , HOH B:381 , HOH B:445binding site for residue CL B 205
08AC8SOFTWAREALA B:22 , ARG B:26binding site for residue CL B 206
09AC9SOFTWAREHIS A:13 , ALA B:102 , ARG B:133 , HOH B:367binding site for residue CL B 207
10AD1SOFTWAREARG B:26 , TRP B:28 , GLN B:170binding site for residue CL B 208
11AD2SOFTWAREARG B:140 , HOH B:412binding site for residue CL B 209
12AD3SOFTWARECYS B:46 , GLN B:48 , THR B:51 , HOH B:408 , HOH B:409binding site for residue NA B 210

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5V01)

(-) Cis Peptide Bonds  (2, 2)

Asymmetric/Biological Unit
No.Residues
1Gly A:113 -Pro A:114
2Gly B:113 -Pro B:114

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5V01)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5V01)

(-) Exons   (0, 0)

(no "Exon" information available for 5V01)

(-) 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:168
                                                                                                                                                                                                        
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author ........hhhhhhhhhhhhhhhhh..eeeee....hhhhhhhhhh.hhhh.eeeeeee.hhhhhhhhhh.hhhhhhhhh..hhhhhhhhhhhhhhhhh..eeeeeee..............eeeeeeee..eeeeeeee...hhhhhhhhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 5v01 A   3 DEIDSDANNTHELTAEVARALIARGWRLTTAESCTGGNLAAALCAQADTAAFYDTGVVTFSDEAKRNVLQVRAETLAVHSAVSEACVQEMSSGILALAGADIAIAVSGYAGPEGGEDGTPAGTVWFAWNFRGQTETKRMCFAGDCETVVAKAVRYALAALSEKLAHWQ 170
                                    12        22        32        42        52        62        72        82        92       102       112       122       132       142       152       162        


Chain B from PDB  Type:PROTEIN  Length:161
                                                                                                                                                                                                 
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhh..eeeee....hhhhhhhhhh.hhhh.eeeeeee.hhhhhhhhhh.hhhhhhhhh..hhhhhhhhhhhhhhhhh..eeeeeee..............eeeeeeee..eeeeeeee...hhhhhhhhhhhhhhhhhhhhh.... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5v01 B  10 NNTHELTAEVARALIARGWRLTTAESCTGGNLAAALCAQADTAAFYDTGVVTFSDEAKRNVLQVRAETLAVHSAVSEACVQEMSSGILALAGADIAIAVSGYAGPEGGEDGTPAGTVWFAWNFRGQTETKRMCFAGDCETVVAKAVRYALAALSEKLAHWQ 170
                                    19        29        39        49        59        69        79        89        99       109       119       129       139       149       159       169
   Legend:   → Mismatch (orange background)
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  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 5V01)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5V01)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5V01)

(-) Gene Ontology  (0, 0)

Asymmetric/Biological Unit(hide GO term definitions)
    (no "Gene Ontology" information available for 5V01)

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  Cis Peptide Bonds
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