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

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Title Crystal structure of renin in complex with NVP-AYL747 (compound 5)
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Renin
Source Homo sapiens (Human) (RENI_HUMAN)
Sequence A:  LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTG
SSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELT
LRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFM
LAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSF
YYNRDSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQI
QMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLM
EALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSAD
YVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKF
YTEFDRRNNRIGFALAR
B:  LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTG
SSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELT
LRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFM
LAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSF
YYNRDSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQI
QMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLM
EALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSAD
YVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKF
YTEFDRRNNRIGFALAR
Description (1)  Renin (E.C.3.4.23.15)


Functional site

1) chain A
residue 38
type ACT_SITE
ligand
sequence V
description
source Swiss-Prot : SWS_FT_FI1

2) chain A
residue 226
type ACT_SITE
ligand
sequence S
description
source Swiss-Prot : SWS_FT_FI1

3) chain B
residue 38
type ACT_SITE
ligand
sequence V
description
source Swiss-Prot : SWS_FT_FI2

4) chain B
residue 226
type ACT_SITE
ligand
sequence S
description
source Swiss-Prot : SWS_FT_FI2

5) chain A
residue 29-40
type prosite
ligand
sequence VVFDTGSSNVWV
description Eukaryotic and viral aspartyl proteases active site.[LIVMFGAC]-[LIVMTADN]-[LIVFSA]-D-[ST]-G-[STAV]-[STAPDENQ]-{GQ}-[LIVMFSTNC]-{EGK}-[LIVMFGTA].
source prosite : PS00141

6) chain B
residue 29-40
type prosite
ligand
sequence VVFDTGSSNVWV
description Eukaryotic and viral aspartyl proteases active site.[LIVMFGAC]-[LIVMTADN]-[LIVFSA]-D-[ST]-G-[STAV]-[STAPDENQ]-{GQ}-[LIVMFSTNC]-{EGK}-[LIVMFGTA].
source prosite : PS00141

7) chain A
residue 212-223
type prosite
ligand
sequence ALVDTGASYISG
description Eukaryotic and viral aspartyl proteases active site.[LIVMFGAC]-[LIVMTADN]-[LIVFSA]-D-[ST]-G-[STAV]-[STAPDENQ]-{GQ}-[LIVMFSTNC]-{EGK}-[LIVMFGTA].
source prosite : PS00141

8) chain B
residue 212-223
type prosite
ligand
sequence ALVDTGASYISG
description Eukaryotic and viral aspartyl proteases active site.[LIVMFGAC]-[LIVMTADN]-[LIVFSA]-D-[ST]-G-[STAV]-[STAPDENQ]-{GQ}-[LIVMFSTNC]-{EGK}-[LIVMFGTA].
source prosite : PS00141


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