eF-site ID 1hov_4-A
PDB Code 1hov
Model 4
Chain A

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Title SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound MATRIX METALLOPROTEINASE-2
Source Homo sapiens (Human) (MMP2_HUMAN)
Sequence A:  MYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAF
QVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKD
GLLAHAFAPGTGVGGDSHFDDDELWTNTSANYSLFLVAAH
EFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQE
LYG
Description (1)  MATRIX METALLOPROTEINASE-2


Functional site

1) chain A
residue 70
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 165
source : AC1

2) chain A
residue 72
type
ligand
sequence D
description BINDING SITE FOR RESIDUE ZN A 165
source : AC1

3) chain A
residue 85
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 165
source : AC1

4) chain A
residue 98
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 165
source : AC1

5) chain A
residue 120
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 166
source : AC2

6) chain A
residue 124
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 166
source : AC2

7) chain A
residue 130
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN A 166
source : AC2

8) chain A
residue 77
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

9) chain A
residue 78
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

10) chain A
residue 79
type
ligand
sequence K
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

11) chain A
residue 80
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

12) chain A
residue 82
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

13) chain A
residue 100
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

14) chain A
residue 103
type
ligand
sequence E
description BINDING SITE FOR RESIDUE CA A 167
source : AC3

15) chain A
residue 60
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 168
source : AC4

16) chain A
residue 92
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 168
source : AC4

17) chain A
residue 93
type
ligand
sequence V
description BINDING SITE FOR RESIDUE CA A 168
source : AC4

18) chain A
residue 94
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 168
source : AC4

19) chain A
residue 95
type
ligand
sequence G
description BINDING SITE FOR RESIDUE CA A 168
source : AC4

20) chain A
residue 96
type
ligand
sequence D
description BINDING SITE FOR RESIDUE CA A 168
source : AC4

21) chain A
residue 81
type
ligand
sequence G
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

22) chain A
residue 82
type
ligand
sequence L
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

23) chain A
residue 83
type
ligand
sequence L
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

24) chain A
residue 84
type
ligand
sequence A
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

25) chain A
residue 85
type
ligand
sequence H
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

26) chain A
residue 120
type
ligand
sequence H
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

27) chain A
residue 121
type
ligand
sequence E
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

28) chain A
residue 124
type
ligand
sequence H
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

29) chain A
residue 130
type
ligand
sequence H
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

30) chain A
residue 136
type
ligand
sequence A
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

31) chain A
residue 137
type
ligand
sequence L
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

32) chain A
residue 139
type
ligand
sequence A
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

33) chain A
residue 141
type
ligand
sequence I
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

34) chain A
residue 142
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

35) chain A
residue 143
type
ligand
sequence T
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

36) chain A
residue 145
type
ligand
sequence T
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

37) chain A
residue 148
type
ligand
sequence F
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

38) chain A
residue 149
type
ligand
sequence R
description BINDING SITE FOR RESIDUE I52 A 800
source : AC5

39) chain A
residue 26
type METAL
ligand
sequence D
description Calcium 1 (By similarity)
source Swiss-Prot : SWS_FT_FI3

40) chain A
residue 101
type METAL
ligand
sequence D
description Calcium 1 (By similarity)
source Swiss-Prot : SWS_FT_FI3

41) chain A
residue 60
type METAL
ligand
sequence D
description Calcium 2 (By similarity)
source Swiss-Prot : SWS_FT_FI4

42) chain A
residue 96
type METAL
ligand
sequence D
description Calcium 2 (By similarity)
source Swiss-Prot : SWS_FT_FI4

43) chain A
residue 70
type METAL
ligand
sequence H
description Zinc 1 (By similarity)
source Swiss-Prot : SWS_FT_FI5

44) chain A
residue 72
type METAL
ligand
sequence D
description Zinc 1 (By similarity)
source Swiss-Prot : SWS_FT_FI5

45) chain A
residue 85
type METAL
ligand
sequence H
description Zinc 1 (By similarity)
source Swiss-Prot : SWS_FT_FI5

46) chain A
residue 98
type METAL
ligand
sequence H
description Zinc 1 (By similarity)
source Swiss-Prot : SWS_FT_FI5

47) chain A
residue 77
type METAL
ligand
sequence D
description Calcium 3 (By similarity)
source Swiss-Prot : SWS_FT_FI6

48) chain A
residue 100
type METAL
ligand
sequence D
description Calcium 3 (By similarity)
source Swiss-Prot : SWS_FT_FI6

49) chain A
residue 103
type METAL
ligand
sequence E
description Calcium 3 (By similarity)
source Swiss-Prot : SWS_FT_FI6

50) chain A
residue 78
type METAL
ligand
sequence G
description Calcium 3; via carbonyl oxygen (By similarity)
source Swiss-Prot : SWS_FT_FI7

51) chain A
residue 92
type METAL
ligand
sequence G
description Calcium 2; via carbonyl oxygen (By similarity)
source Swiss-Prot : SWS_FT_FI8

52) chain A
residue 94
type METAL
ligand
sequence G
description Calcium 2; via carbonyl oxygen (By similarity)
source Swiss-Prot : SWS_FT_FI8

53) chain A
residue 117-126
type prosite
ligand
sequence VAAHEFGHAM
description Neutral zinc metallopeptidases, zinc-binding region signature. [GSTALIVN]-{PCHR}-{KND}-H-E-[LIVMFYW]-{DEHRKP}-H-{EKPC}-[LIVMFYWGSPQ]
source prosite : PS00142

54) chain A
residue 121
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1hfs
source CSA : CSA1

55) chain A
residue 138
type catalytic
ligand
sequence M
description Annotated By Reference To The Literature 1hfs
source CSA : CSA1

56) chain A
residue 121
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1hfs
source CSA : CSA2


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