PDB entry 4q9z

View 4q9z on RCSB PDB site
Description: Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Class: Transferase/transferase inhibitor
Keywords: PKC THETA KINASE, kinase catalytic domain, Transferase-transferase inhibitor complex
Deposited on 2014-05-02, released 2014-07-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-01-21, with a file datestamp of 2015-01-16.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.22
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: human protein kinase c theta
    Species: Homo sapiens [TaxId:9606]
    Gene: PRKCQ, PRKCT
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q04759 (Start-332)
      • engineered mutation (7)
      • engineered mutation (164)
      • expression tag (333)
    Domains in SCOPe 2.08: d4q9za1, d4q9za2
  • Chain 'B':
    Compound: human protein kinase c theta
    Species: Homo sapiens [TaxId:9606]
    Gene: PRKCQ, PRKCT
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q04759 (0-End)
      • engineered mutation (7)
      • engineered mutation (164)
    Domains in SCOPe 2.08: d4q9zb_
  • Heterogens: PZW, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4q9zA (A:)
klkiedfelhkmlgkgsfgkvflaefkktnqffaikalkkdvvlmdddvectmvekrvls
lawehpflthmfctfqtkenlffvmeylnggdlmyhiqschkfdlsratfyaaeiilglq
flhskgivyrdlkldnilldkdghikiadfgmckenmlgdaktnefcgtpdyiapeillg
qkynhsvdwwsfgvllyemligqspfhgqdeeelfhsirmdnpfyprwlekeakdllvkl
fvrepekrlgvrgdirqhplfreinweelerkeidppfrpkvkspfdcsnfdkeflnekp
rlsfadralinsmdqnmfrnfsfmnpgmerlish

    Sequence, based on observed residues (ATOM records): (download) 
    >4q9zA (A:)
lkiedfelhkmlgkgsfgkvflaefkktnqffaikalkkdvvlmdddvectmvekrvlsl
awehpflthmfctfqtkenlffvmeylnggdlmyhiqschkfdlsratfyaaeiilglqf
lhskgivyrdlkldnilldkdghikiadfgmckenmlgdaktnefcgtpdyiapeillgq
kynhsvdwwsfgvllyemligqspfhgqdeeelfhsirmdnpfyprwlekeakdllvklf
vrepekrlgvrgdirqhplfreinweelerkeidppfrpkvkspfdcsnfdkeflnekpr
lsfadralinsmdqnmfrnfsfmnpgmerlish

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4q9zB (B:)
klkiedfelhkmlgkgsfgkvflaefkktnqffaikalkkdvvlmdddvectmvekrvls
lawehpflthmfctfqtkenlffvmeylnggdlmyhiqschkfdlsratfyaaeiilglq
flhskgivyrdlkldnilldkdghikiadfgmckenmlgdaktnefcgtpdyiapeillg
qkynhsvdwwsfgvllyemligqspfhgqdeeelfhsirmdnpfyprwlekeakdllvkl
fvrepekrlgvrgdirqhplfreinweelerkeidppfrpkvkspfdcsnfdkeflnekp
rlsfadralinsmdqnmfrnfsfmnpgmerlish

    Sequence, based on observed residues (ATOM records): (download) 
    >4q9zB (B:)
klkiedfelhkmlgkgsfgkvflaefkktnqffaikalkkdvvlmdddvectmvekrvls
lawehpflthmfctfqtkenlffvmeylnggdlmyhiqschkfdlsratfyaaeiilglq
flhskgivyrdlkldnilldkdghikiadfgmckenmlgdaktnefcgtpdyiapeillg
qkynhsvdwwsfgvllyemligqspfhgqdeeelfhsirmdnpfyprwlekeakdllvkl
fvrepekrlgvrgdirqhplfreinweelerkeidppfrpkvkspfdcsnfdknmfrnfs
fmnpgmerl