PDB entry 4gja

View 4gja on RCSB PDB site
Description: Crystal structure of renin in complex with NVP-AYL747 (compound 5)
Class: hydrolase/hydrolase inhibitor
Keywords: renin inhibitor, fragment based screening, 3,5-disubstituted piperidines, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-08-09, released 2013-02-13
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-04-10, with a file datestamp of 2013-04-05.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.19
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: renin
    Species: Homo sapiens [TaxId:9606]
    Gene: REN
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4gjaa_
  • Chain 'B':
    Compound: renin
    Species: Homo sapiens [TaxId:9606]
    Gene: REN
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4gjab_
  • Heterogens: NAG, 0M3, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4gjaA (A:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdsensqslggqivlgg
sdpqhyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssie
klmealgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlai
hamdippptgptwalgatfirkfytefdrrnnrigfalar

    Sequence, based on observed residues (ATOM records): (download) 
    >4gjaA (A:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdsqslggqivlggsdp
qhyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssieklm
ealgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlaiham
dippptgptwalgatfirkfytefdrrnnrigfalar

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4gjaB (B:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdsensqslggqivlgg
sdpqhyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssie
klmealgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlai
hamdippptgptwalgatfirkfytefdrrnnrigfalar

    Sequence, based on observed residues (ATOM records): (download) 
    >4gjaB (B:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdsqslggqivlggsdp
qhyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssieklm
ealgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlaiham
dippptgptwalgatfirkfytefdrrnnrigfalar