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(-) Description

Title :  X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A IN COMPLEX WITH HIGH MG2+ CONCENTRATION, AMP-PCP AND PSEUDO-SUBSTRATE PEPTIDE SP20
 
Authors :  O. Gerlits, A. Kovalevsky
Date :  06 Dec 12  (Deposition) - 12 Jun 13  (Release) - 21 Sep 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.15
Chains :  Asym./Biol. Unit :  A,S
Keywords :  Kinase, Phosphorylation, Auto-Phosphorylated, Transferase-Peptide Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google))
 
Reference :  O. Gerlits, M. J. Waltman, S. Taylor, P. Langan, A. Kovalevsky
Insights Into The Phosphoryl Transfer Catalyzed By Camp-Dependent Protein Kinase: An X-Ray Crystallographic Study Of Complexes With Various Metals And Peptide Substrat Sp20.
Biochemistry V. 52 3721 2013
PubMed-ID: 23672593  |  Reference-DOI: 10.1021/BI400066A

(-) Compounds

Molecule 1 - CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA
    ChainsA
    EC Number2.7.11.11
    EngineeredYES
    Expression SystemESCHERICHIA COLI
    Expression System Taxid562
    GenePRKACA, PKACA
    Organism CommonMOUSE
    Organism ScientificMUS MUSCULUS
    Organism Taxid10090
    SynonymPKA C-ALPHA
 
Molecule 2 - PEPTIDE SP20
    ChainsS
    EngineeredYES
    Organism CommonHUMAN
    Organism ScientificHOMO SAPIENS
    Organism Taxid9606
    SyntheticYES

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit AS

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (4, 6)

Asymmetric/Biological Unit (4, 6)
No.NameCountTypeFull Name
1ACP1Ligand/IonPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
2MG2Ligand/IonMAGNESIUM ION
3SEP2Mod. Amino AcidPHOSPHOSERINE
4TPO1Mod. Amino AcidPHOSPHOTHREONINE

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREASP A:184 , HOH A:1001 , HOH A:1003BINDING SITE FOR RESIDUE MG A 401
2AC2SOFTWAREASN A:171 , ASP A:184 , HOH A:1002BINDING SITE FOR RESIDUE MG A 402
3AC3SOFTWAREGLY A:52 , VAL A:57 , ALA A:70 , LYS A:72 , VAL A:104 , MET A:120 , GLU A:121 , VAL A:123 , GLU A:127 , LYS A:168 , GLU A:170 , ASN A:171 , LEU A:173 , THR A:183 , ASP A:184 , PHE A:327 , MG A:401 , MG A:402 , HOH A:1002 , HOH A:1089 , HOH A:1270 , HOH A:1271 , ARG S:618 , ALA S:620 , SER S:621BINDING SITE FOR RESIDUE ACP A 403

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4IAC)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4IAC)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4IAC)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4IAC)

(-) Exons   (0, 0)

(no "Exon" information available for 4IAC)

(-) 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:336
                                                                                                                                                                                                                                                                                                                                                                                
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author hhhhhhhhhhhhhhhhhh......hhh.eeeeeeeee...eeeeeeee.....eeeeeeeehhhhhhh.hhhhhhhhhhhhh.........eeeeee...eeeeeee.....hhhhhhhhhh..hhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eee.....eee......ee..........hhhhhhhhhhh.....hhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhh........hhhhhhhhhhhh..............hhhhhhhhhhh..hhhhhhh........................................... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 4iac A  15 VKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFsEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWtLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVsINEKCGKEFTEF 350
                                    24        34        44        54        64        74        84        94       104       114       124       134    |  144       154       164       174       184       194  |    204       214       224       234       244       254       264       274       284       294       304       314       324       334   |   344      
                                                                                                                                                      139-SEP                                                   197-TPO                                                                                                                                      338-SEP        

Chain S from PDB  Type:PROTEIN  Length:20
                                                    
               SCOP domains -------------------- SCOP domains
               CATH domains -------------------- CATH domains
               Pfam domains -------------------- Pfam domains
         Sec.struct. author .hhhhhhh............ Sec.struct. author
                 SAPs(SNPs) -------------------- SAPs(SNPs)
                    PROSITE -------------------- PROSITE
                 Transcript -------------------- Transcript
                 4iac S 605 TTYADFIASGRTGRRASIHD 624
                                   614       624

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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 4IAC)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4IAC)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4IAC)

(-) Gene Ontology  (70, 73)

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 Related Entries

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

UniProtKB/Swiss-Prot
        IPKA_HUMAN | P619251cdk 1cmk 1ctp 1jlu 1q24 1q61 1q62 1q8t 1q8u 1q8w 1smh 1stc 1sve 1svg 1svh 1veb 1xh4 1xh5 1xh6 1xh7 1xh8 1xh9 1xha 1ydr 1yds 1ydt 2c1a 2c1b 2f7e 2gni 2jds 2jdt 2jdv 2l1l 2uvx 2uvy 2uvz 2uw0 2uw3 2uw4 2uw5 2uw6 2uw7 2uw8 2vnw 2vny 2vo0 2vo3 2vo6 2vo7 3ama 3amb 3l9l 3l9m 3l9n 3mvj 3nx8 3oog 3ovv 3owp 3oxt 3p0m 3poo 3vqh 3wyg 3x2u 3x2v 3x2w 4axa 4iad 4iaf 4iai 4iak 4iay 4iaz 4ib0 4ib1 4ib3 4ie9 4ij9 4o21 4o22 4uj1 4uj2 4uj9 4uja 4ujb 4wb5 4wb6 4wb7 4wb8 4z83 4z84 5bx6 5bx7 5dh9
        KAPCA_MOUSE | P051321apm 1atp 1bkx 1bx6 1fmo 1j3h 1jbp 1jlu 1l3r 1pvk 1rdq 1re8 1rej 1rek 1syk 2cpk 2erz 2qcs 2qur 2qvs 3fhi 3fjq 3idb 3idc 3j4q 3j4r 3o7l 3ow3 3pvb 3qal 3qam 3tnp 3tnq 3x2u 3x2v 3x2w 4dfx 4dfy 4dfz 4dg0 4dg2 4dg3 4dh1 4dh3 4dh5 4dh7 4dh8 4din 4hpt 4hpu 4iad 4iaf 4iai 4iak 4iay 4iaz 4ib0 4ib1 4ib3 4nts 4ntt 4o21 4o22 4wbb 4x6q 4x6r 4xw4 4xw5 4xw6 5jr7 5x3f

(-) Related Entries Specified in the PDB File

4iad 4iaf 4iai 4iak 4iay 4iaz 4ib0 4ib1 4ib3