PDB entry 4li8

View 4li8 on RCSB PDB site
Description: tankyrase-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide
Deposited on 2013-07-02, released 2013-08-14
The last revision was dated 2013-10-02, with a file datestamp of 2013-09-27.
Experiment type: XRAY
Resolution: 2.52 Å
R-factor: 0.21
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tankyrase-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TNKS, PARP5A, PARPL, TIN1, TINF1, TNKS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O95271 (1-End)
      • see remark 999 (162)
  • Chain 'B':
    Compound: Tankyrase-1
    Species: Homo sapiens [TaxId:9606]
    Gene: TNKS, PARP5A, PARPL, TIN1, TINF1, TNKS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot O95271 (1-End)
      • see remark 999 (162)
  • Heterogens: ZN, 1XQ, SO4, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >4li8A (A:)
ggtilldlapedkeyqsveeemqstirehrdggnaggifnrynviriqkvvnkklrerfc
hrqkevseenhnhhnermlfhgspfinaiihkgfderhayiggmfgagiyfaenssksnq
yvygigggtgcpthkdrscyichrqmlfcrvtlgksflqfstikmahappghhsvigrps
vnglayaeyviyrgeqaypeylityqimkpeapsqtataaeqkt

    Sequence, based on observed residues (ATOM records):
    >4li8A (A:)
gtilldlapedkeyqsveeemqstirehrdggnaggifnrynviriqkvvnkklrerfch
rqkevseenhnhhnermlfhgspfinaiihkgfderhagmfgagiyfaenssksnqyvyg
igggtgcpthkdrscyichrqmlfcrvtlgksflqfstikmahappghhsvigryaeyvi
yrgeqaypeylityqimkp

  • Chain 'B':
    Sequence, based on SEQRES records:
    >4li8B (B:)
ggtilldlapedkeyqsveeemqstirehrdggnaggifnrynviriqkvvnkklrerfc
hrqkevseenhnhhnermlfhgspfinaiihkgfderhayiggmfgagiyfaenssksnq
yvygigggtgcpthkdrscyichrqmlfcrvtlgksflqfstikmahappghhsvigrps
vnglayaeyviyrgeqaypeylityqimkpeapsqtataaeqkt

    Sequence, based on observed residues (ATOM records):
    >4li8B (B:)
gtilldlapedkeyqsveeemqstirehrdggnaggifnrynviriqkvvnkklrerfch
rqkevseenhnhhnermlfhgspfinaiihkgfderhagmfgagiyfaenssksnqyvyg
igggtgcpthkdrscyichrqmlfcrvtlgksflqfstikmahappghhsvigrpsvngl
ayaeyviyrgeqaypeylityqimkpe