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(-) Description

Title :  CRYSTAL STRUCTURE OF AN ACRDYS HETERODIMER [RIA(92-365):C] OF PKA
 
Authors :  J. G. H. Bruystens, J. Wu, S. S. Taylor
Date :  05 May 16  (Deposition) - 15 Mar 17  (Release) - 15 Mar 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  3.56
Chains :  Asym. Unit :  A,B,C,D
Biol. Unit 1:  A,B  (1x)
Biol. Unit 2:  C,D  (1x)
Keywords :  Pka Signaling, Ria Subunit, Disease Mutations, Dysfunctional Acrdys Mutant, Transferase-Camp Binding Protein Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  J. G. Bruystens, J. Wu, A. Fortezzo, J. Del Rio, C. Nielsen, D. K. Blumenthal, R. Rock, E. Stefan, S. S. Taylor
Structure Of A Pka Ri Alpha Recurrent Acrodysostosis Mutant Explains Defective Camp-Dependent Activation.
J. Mol. Biol. V. 428 4890 2016
PubMed-ID: 27825928  |  Reference-DOI: 10.1016/J.JMB.2016.10.033

(-) Compounds

Molecule 1 - CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA
    Chains: A, C
    EC Number: 2.7.11.11
    Engineered: YES
    Expression System: ESCHERICHIA COLI K-12
    Expression System Taxid: 83333
    Gene: PRKACA, PKACA
    Organism Common: MOUSE
    Organism Scientific: MUS MUSCULUS
    Organism Taxid: 10090
    Synonym: PKA C-ALPHA
 
Molecule 2 - CAMP-DEPENDENT PROTEIN KINASE TYPE I-ALPHA REGULATORY SUBUNIT
    Chains: B, D
    Engineered: YES
    Expression System: ESCHERICHIA COLI K-12
    Expression System Taxid: 83333
    Fragment: UNP RESIDUES 92-366
    Gene: PRKAR1A
    Organism Common: BOVINE
    Organism Scientific: BOS TAURUS
    Organism Taxid: 9913

 Structural Features

(-) Chains, Units

  1234
Asymmetric Unit : ABCD
Biological Unit 1 (1x): AB  
Biological Unit 2 (1x):   CD

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 8)

Asymmetric Unit (3, 8)
No.NameCountTypeFull Name
1ADP2Ligand/IonADENOSINE-5'-DIPHOSPHATE
2SEP4Mod. Amino AcidPHOSPHOSERINE
3TPO2Mod. Amino AcidPHOSPHOTHREONINE
Biological Unit 1 (3, 4)
No.NameCountTypeFull Name
1ADP1Ligand/IonADENOSINE-5'-DIPHOSPHATE
2SEP2Mod. Amino AcidPHOSPHOSERINE
3TPO1Mod. Amino AcidPHOSPHOTHREONINE
Biological Unit 2 (3, 4)
No.NameCountTypeFull Name
1ADP1Ligand/IonADENOSINE-5'-DIPHOSPHATE
2SEP2Mod. Amino AcidPHOSPHOSERINE
3TPO1Mod. Amino AcidPHOSPHOTHREONINE

(-) Sites  (2, 2)

Asymmetric Unit (2, 2)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREGLY A:50 , GLY A:52 , GLY A:55 , VAL A:57 , ALA A:70 , LYS A:72 , MET A:120 , GLU A:121 , VAL A:123 , GLU A:127 , GLU A:170 , ASN A:171 , LEU A:173 , THR A:183 , ASP A:184 , PHE A:327binding site for residue ADP A 400
2AC2SOFTWAREGLY C:50 , GLY C:52 , GLY C:55 , VAL C:57 , ALA C:70 , LYS C:72 , GLU C:121 , VAL C:123 , GLU C:127 , GLU C:170 , LEU C:173 , THR C:183 , ASP C:184binding site for residue ADP C 400

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5JR7)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 5JR7)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5JR7)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5JR7)

(-) Exons   (0, 0)

(no "Exon" information available for 5JR7)

(-) Sequences/Alignments

Asymmetric 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:338
                                                                                                                                                                                                                                                                                                                                                                                  
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author hhhhhhhhhhhhhhhhhhhh......hhh.eeeeeeeee...eeeeeeee....eeeeeeeeehhhhhhh.hhhhhhhhhhhhhhh.......eeeeee...eeeeeee.....hhhhhhhhhh..hhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eee.....eee......ee........eehhhhhhhhhhh......hhhhhhhhhhhhhhhhh.......hhhhhhhhhhhh........hhhhhhhhhhhh..............hhhhhhhhhhh..hhhhhhh........................................... Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5jr7 A  13 ESVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFsEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWtLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVsINEKCGKEFTEF 350
                                    22        32        42        52        62        72        82        92       102       112       122       132      |142       152       162       172       182       192    |  202       212       222       232       242       252       262       272       282       292       302       312       322       332     | 342        
                                                                                                                                                        139-SEP                                                   197-TPO                                                                                                                                      338-SEP        


Chain B from PDB  Type:PROTEIN  Length:267
                                                                                                                                                                                                                                                                                                           
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ......ee....hhhhhhhh.......hhhhhhhhhhhhh.hhhhhh.hhhhhhhhhhhheeeee....eee.......eeeeeee..eeeee..eeeeee....eehhhhhh.......eeee...eeeeeeehhhhhhhhhhhhhhhhhhhhhhhhhhhhhh..hhhhhhhhhhhheeeee....eee....ee.eeeeeeeeeeeeee........eeeeee....ee.hhhhhh.ee...eeeeeeeeeeeeeehhhhhhhh. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5jr7 B  92 RRRRGAISAEVYTEEDAASYVRKVIPKDYKTMAALAKAIEKNVLFSHLDDNERSDIFDAMFPVSFIAGETVIQQGDEGDNFYVIDQGEMDVYVNNEWATSVGEGGSFGELALIYGTPRAATVKAKTNVKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESLDKWERLTVADALEPVQFEDGQKIVVQGEPGDEFFIILEGSAAVLQRRSENEEFVEVGRLGPSDYFGEIALLMNRPRAATVVARGPLKCVKLDRPRFERVLG 358
                                   101       111       121       131       141       151       161       171       181       191       201       211       221       231       241       251       261       271       281       291       301       311       321       331       341       351       


Chain C from PDB  Type:PROTEIN  Length:338
                                                                                                                                                                                                                                                                                                                                                                                  
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhhhhhhh......hhhhh...eeeee....eeeeeee....eeeeeeeeehhhhhhh.hhhhhhhhhhhhh.........eeeee....eeeeeee.....hhhhhhhhhh..hhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eee.....eee......ee........eehhhhhhhhhhh......hhhhhhhhhhhhhhhhh.......hhhhhhhhhh..........hhhhhhhhhhhh..............hhhhhhhhhhh..hhhhhhh........................................... Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5jr7 C  13 ESVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFsEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWtLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVsINEKCGKEFTEF 350
                                    22        32        42        52        62        72        82        92       102       112       122       132      |142       152       162       172       182       192    |  202       212       222       232       242       252       262       272       282       292       302       312       322       332     | 342        
                                                                                                                                                        139-SEP                                                   197-TPO                                                                                                                                      338-SEP        


Chain D from PDB  Type:PROTEIN  Length:266
                                                                                                                                                                                                                                                                                                          
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ......ee....hhhhhh.........hhhhhhhhhhhhh.hhhhhh.hhhhhhhhhhhh..eee...eeee.......eeeee....eeeee..eeeeee.......hhhhhh......eeee...eeeeeeehhhhhhhhhhhhhhhhhhhhhhhhhh......hhhhhhhhhh..eeeee...........ee...eeeeeeeeeeeee......eeeeeee....ee.hhhhhh.ee...eeeeeeeeeeee.hhhhhhhhh Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5jr7 D  92 RRRRGAISAEVYTEEDAASYVRKVIPKDYKTMAALAKAIEKNVLFSHLDDNERSDIFDAMFPVSFIAGETVIQQGDEGDNFYVIDQGEMDVYVNNEWATSVGEGGSFGELALIYGTPRAATVKAKTNVKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESLDKWERLTVADALEPVQFEDGQKIVVQGEPGDEFFIILEGSAAVLQRRSENEEFVEVGRLGPSDYFGEIALLMNRPRAATVVARGPLKCVKLDRPRFERVL 357
                                   101       111       121       131       141       151       161       171       181       191       201       211       221       231       241       251       261       271       281       291       301       311       321       331       341       351
   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 5JR7)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5JR7)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5JR7)

(-) Gene Ontology  (73, 84)

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 Related Entries

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

UniProtKB/Swiss-Prot
        KAP0_BOVIN | P00514: 1apk 1bpk 1ne4 1ne6 1pvk 1rgs 1rl3 2ezw 2qcs 3fhi 3iia 3im3 3im4 3plq 3pna 3pvb 4jv4 4mx3 4x6r 5hvz
        KAPCA_MOUSE | P05132: 1apm 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 4iac 4iad 4iaf 4iai 4iak 4iay 4iaz 4ib0 4ib1 4ib3 4nts 4ntt 4o21 4o22 4wbb 4x6q 4x6r 4xw4 4xw5 4xw6 5x3f

(-) Related Entries Specified in the PDB File

(no "Related Entries Specified in the PDB File" available for 5JR7)