eF-site ID 4gjd-AB
PDB Code 4gjd
Chain A, B

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Title Crystal structure of renin in complex with NVP-BGQ311 (compound 12)
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Renin
Source Homo sapiens (Human) (RENI_HUMAN)
Sequence A:  TLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGS
SNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTL
RYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFML
AEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFY
YNRDQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQM
KGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEA
LGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYV
FQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYT
EFDRRNNRIGFALAR
B:  LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTG
SSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELT
LRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFM
LAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSF
YYNRDSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQI
QMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLM
EALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSAD
YVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKF
YTEFDRRNNRIGFALAR
Description


Functional site

1) chain A
residue 29-40
type prosite
sequence VVFDTGSSNVWV
description ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. VVFDTGSSNVWV
source prosite : PS00141

2) chain A
residue 212-223
type prosite
sequence ALVDTGASYISG
description ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. VVFDTGSSNVWV
source prosite : PS00141

3) chain A
residue 32
type ACT_SITE
sequence D
description ACT_SITE => ECO:0000269|PubMed:20927107
source Swiss-Prot : SWS_FT_FI1

4) chain A
residue 215
type ACT_SITE
sequence D
description ACT_SITE => ECO:0000269|PubMed:20927107
source Swiss-Prot : SWS_FT_FI1

5) chain B
residue 32
type ACT_SITE
sequence D
description ACT_SITE => ECO:0000269|PubMed:20927107
source Swiss-Prot : SWS_FT_FI1

6) chain B
residue 215
type ACT_SITE
sequence D
description ACT_SITE => ECO:0000269|PubMed:20927107
source Swiss-Prot : SWS_FT_FI1

7) chain A
residue -1
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:2493678
source Swiss-Prot : SWS_FT_FI2

8) chain A
residue 67
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:2493678
source Swiss-Prot : SWS_FT_FI2

9) chain B
residue -1
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:2493678
source Swiss-Prot : SWS_FT_FI2

10) chain B
residue 67
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:2493678
source Swiss-Prot : SWS_FT_FI2


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