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(-) Description

Title :  SINGLE TURNOVER AUTOPHOSPHORYLATION CYCLE OF THE PKA RIIB HOLOENZYME
 
Authors :  P. Zhang, M. J. Knape, L. G. Ahuja, M. M. Keshwani, C. C. King, M. Sastri, F. W. Herberg, S. S. Taylor
Date :  02 Sep 14  (Deposition) - 20 May 15  (Release) - 26 Aug 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.80
Chains :  Asym./Biol. Unit :  A,B
Keywords :  Pka, Complex, Single Turnover, Oscillations, Transferase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  P. Zhang, M. J. Knape, L. G. Ahuja, M. M. Keshwani, C. C. King, M. Sastri, F. W. Herberg, S. S. Taylor
Single Turnover Autophosphorylation Cycle Of The Pka Rii Beta Holoenzyme.
Plos Biol. V. 13 02192 2015
PubMed-ID: 26158466  |  Reference-DOI: 10.1371/JOURNAL.PBIO.1002192

(-) Compounds

Molecule 1 - CAMP-DEPENDENT PROTEIN KINASE TYPE II-BETA REGULATORY SUBUNIT
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Taxid: 562
    Gene: PRKAR2B
    Organism Common: MOUSE
    Organism Scientific: MUS MUSCULUS
    Organism Taxid: 10090
 
Molecule 2 - CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA
    Chains: B
    EC Number: 2.7.11.11
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Taxid: 562
    Gene: PRKACA, PKACA
    Organism Common: MOUSE
    Organism Scientific: MUS MUSCULUS
    Organism Taxid: 10090
    Synonym: PKA C-ALPHA

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit : AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (4, 7)

Asymmetric/Biological Unit (4, 7)
No.NameCountTypeFull Name
1ADP1Ligand/IonADENOSINE-5'-DIPHOSPHATE
2CA2Ligand/IonCALCIUM ION
3SEP3Mod. Amino AcidPHOSPHOSERINE
4TPO1Mod. Amino AcidPHOSPHOTHREONINE

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWARESEP A:112 , ADP A:502 , ASP B:184 , HOH B:505binding site for residue CA A 501
2AC2SOFTWARESEP A:112 , CA A:501 , GLY B:52 , SER B:53 , VAL B:57 , ALA B:70 , LYS B:72 , GLU B:121 , VAL B:123 , GLU B:127 , ASN B:171 , LEU B:173 , THR B:183 , ASP B:184 , PHE B:327 , CA B:401binding site for residue ADP A 502
3AC3SOFTWARESEP A:112 , ADP A:502 , HOH A:607 , ASN B:171 , ASP B:184 , HOH B:504binding site for residue CA B 401

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (4, 4)

Asymmetric/Biological Unit
No.Residues
1Asp A:204 -Gly A:205
2Lys A:263 -Met A:264
3Ser B:53 -Phe B:54
4Phe B:54 -Gly B:55

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4WBB)

(-) 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:269
                                                                                                                                                                                                                                                                                                             
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author hhhhh....ee.............hhhhhhhhhhh...hhhhhh.hhhhhhhhhhhheeeee....eee.......eeeeeee.eeeee...........eee...eehhhhhh.......eeee...eeeeeeehhhhhhhhhhhhhhh...hhhhhhhhhhhh..hhhhhhhhhhhheeeee....eee.......eeeeeeeeeeeee...eeeee....eehhhhhh.......eeeeeeeeeeeeeehhhhhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4wbb A 104 INRFTRRAsVCAEAYNPDRIIHPKTDDQRNRLQEACKDILLFKNLDPEQMSQVLDAMFEKLVKEGEHVIDQGDDGDNFYVIDRGTFDIYVKCDGVGRCVGNYDNRGSFGELALMYNTPKAATITATSPGALWGLDRVTFRRIIVKNNAKKRKMYESFIESLPFLKSLEVSERLKVVDVIGTKVYNDGEQIIAQGDLADSFFIVESGEVKITMKVEIARCFRGQYFGELALVTNKPRAASAHAIGTVKCLAMDVQAFERLLGPCMEIMKR 392
                                   113       131       141       151       161       171       181       191       201       211       221       231       241       251       261       271       281       291       301       311       321  ||   343       353       363       373       383         
                                  112-SEP  121|                                                                                                                                                                                               324|                                                       
                                            130                                                                                                                                                                                                337                                                       


Chain B from PDB  Type:PROTEIN  Length:337
                                                                                                                                                                                                                                                                                                                                                                                 
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhhhhhh......hhh.eeeeeeee......eeeeee.....eeeeeeeehhhhhhh.hhhhhhhhhhhhh.........eeeeee...eeeeeee.....hhhhhhhhhh..hhhhhhhhhhhhhhhhhhhhhh.ee........eee.....eee......ee........eehhhhhhhhhhh.....hhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhh........hhhhhhhhhhhh..hhhhh.......hhhhhh.......hhhhhhh....................................hhhhh.. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4wbb B  14 SVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFsEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWtLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVsINEKCGKEFTEF 350
                                    23        33        43        53        63        73        83        93       103       113       123       133     | 143       153       163       173       183       193   |   203       213       223       233       243       253       263       273       283       293       303       313       323       333    |  343       
                                                                                                                                                       139-SEP                                                   197-TPO                                                                                                                                      338-SEP
   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 4WBB)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (79, 91)

Asymmetric/Biological Unit(hide GO term definitions)

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  Cis Peptide Bonds
    Asp A:204 - Gly A:205   [ RasMol ]  
    Lys A:263 - Met A:264   [ RasMol ]  
    Phe B:54 - Gly B:55   [ RasMol ]  
    Ser B:53 - Phe B:54   [ RasMol ]  
 

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  KAPCA_MOUSE | P05132
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  2.7.11.11
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 Related Entries

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

UniProtKB/Swiss-Prot
        KAP3_MOUSE | P31324: 3tnp 3tnq 4x6q
        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 4x6q 4x6r 4xw4 4xw5 4xw6 5jr7 5x3f

(-) Related Entries Specified in the PDB File

(no "Related Entries Specified in the PDB File" available for 4WBB)