PDB entry 4gj7

View 4gj7 on RCSB PDB site
Description: Crystal structure of renin in complex with NVP-BCA079 (compound 12a)
Class: hydrolase/hydrolase inhibitor
Keywords: renin inhibitor, pharmacophore search, trans-3, 4-disubstituted pyrrolidine, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-08-09, released 2013-03-06
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-07-04.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
AEROSPACI score: 0.22 (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 2.08: d4gj7a_
  • Chain 'B':
    Compound: renin
    Species: Homo sapiens [TaxId:9606]
    Gene: REN
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4gj7b_
  • Heterogens: NAG, 0LT, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4gj7A (A:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdsensqslggqivlgg
sdpqhyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssie
klmealgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlai
hamdippptgptwalgatfirkfytefdrrnnrigfalar

    Sequence, based on observed residues (ATOM records): (download) 
    >4gj7A (A:)
tlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvyh
klfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfml
aefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdqslggqivlggsdpqh
yegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssieklmea
lgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlaihamdi
ppptgptwalgatfirkfytefdrrnnrigfalar

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4gj7B (B:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdsensqslggqivlgg
sdpqhyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssie
klmealgakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlai
hamdippptgptwalgatfirkfytefdrrnnrigfalar

    Sequence, based on observed residues (ATOM records): (download) 
    >4gj7B (B:)
ltlgnttssviltnymdtqyygeigigtppqtfkvvfdtgssnvwvpsskcsrlytacvy
hklfdasdsssykhngteltlrystgtvsgflsqdiitvggitvtqmfgevtempalpfm
laefdgvvgmgfieqaigrvtpifdniisqgvlkedvfsfyynrdqslggqivlggsdpq
hyegnfhyinliktgvwqiqmkgvsvgsstllcedgclalvdtgasyisgstssieklme
algakkrlfdyvvkcnegptlpdisfhlggkeytltsadyvfqesysskklctlaihamd
ippptgptwalgatfirkfytefdrrnnrigfalar