eF-site ID 2v11-C
PDB Code 2v11
Chain C

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Title Crystal Structure of Renin with Inhibitor 6
Classification HYDROLASE
Compound RENIN
Source (RENI_HUMAN)
Sequence C:  GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSN
VWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRY
STGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAE
FDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYN
RDSESLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMK
GVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEAL
GAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVF
QESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTE
FDRRNNRIGFALAR
Description (1)  RENIN (E.C.3.4.23.15)


Functional site

1) chain C
residue 18
type
ligand
sequence T
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

2) chain C
residue 20
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

3) chain C
residue 36
type
ligand
sequence V
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

4) chain C
residue 38
type
ligand
sequence D
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

5) chain C
residue 41
type
ligand
sequence S
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

6) chain C
residue 42
type
ligand
sequence S
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

7) chain C
residue 83
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

8) chain C
residue 84
type
ligand
sequence S
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

9) chain C
residue 85
type
ligand
sequence T
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

10) chain C
residue 122
type
ligand
sequence A
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

11) chain C
residue 124
type
ligand
sequence F
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

12) chain C
residue 135
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

13) chain C
residue 226
type
ligand
sequence D
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

14) chain C
residue 227
type
ligand
sequence T
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

15) chain C
residue 228
type
ligand
sequence G
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

16) chain C
residue 229
type
ligand
sequence A
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

17) chain C
residue 230
type
ligand
sequence S
description BINDING SITE FOR RESIDUE C80 C1341
source : AC1

18) chain C
residue 35-46
type prosite
ligand
sequence VVFDTGSSNVWV
description Eukaryotic and viral aspartyl proteases active site. [LIVMFGAC]-[LIVMTADN]-[LIVFSA]-D-[ST]-G-[STAV]-[STAPDENQ]-{GQ}
source prosite : PS00141

19) chain C
residue 223-234
type prosite
ligand
sequence ALVDTGASYISG
description Eukaryotic and viral aspartyl proteases active site. [LIVMFGAC]-[LIVMTADN]-[LIVFSA]-D-[ST]-G-[STAV]-[STAPDENQ]-{GQ}
source prosite : PS00141

20) chain C
residue 18-20
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence TQY
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

21) chain C
residue 36
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence V
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

22) chain C
residue 38
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence D
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

23) chain C
residue 40-43
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence GSSN
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

24) chain C
residue 81-85
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence LRYST
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

25) chain C
residue 118-119
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence PF
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

26) chain C
residue 121-122
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence LA
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

27) chain C
residue 124
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence F
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

28) chain C
residue 127
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence V
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

29) chain C
residue 135
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence Q
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

30) chain C
residue 137
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence I
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

31) chain C
residue 162
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence Y
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

32) chain C
residue 224
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence L
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

33) chain C
residue 226-230
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence DTGAS
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

34) chain C
residue 305-306
type binding
ligand C80: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
sequence IP
description (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE binding site
source pdb_hetatom : C80_2v11_C_1341

35) chain C
residue 38
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA1

36) chain C
residue 226
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA1

37) chain C
residue 39
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1avf
source CSA : CSA1

38) chain C
residue 227
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1avf
source CSA : CSA1

39) chain C
residue 38
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA3

40) chain C
residue 226
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA3

41) chain C
residue 41
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1avf
source CSA : CSA3

42) chain C
residue 38
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA5

43) chain C
residue 226
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA5

44) chain C
residue 83
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1avf
source CSA : CSA5

45) chain C
residue 41
type catalytic
ligand
sequence S
description Annotated By Reference To The Literature 1avf
source CSA : CSA5

46) chain C
residue 38
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA7

47) chain C
residue 226
type catalytic
ligand
sequence D
description Annotated By Reference To The Literature 1avf
source CSA : CSA9

48) chain C
residue 32
type catalytic
ligand
sequence T
description Annotated By Reference To The Literature 1avf
source CSA : CSA9


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