eF-site ID 3ljz-D
PDB Code 3ljz
Chain D

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Title Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Collagenase 3
Source null (MMP13_HUMAN)
Sequence D:  ANVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFK
VWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSG
LLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHE
FGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQ
SLYG
Description


Functional site

1) chain D
residue 162
type
sequence D
description BINDING SITE FOR RESIDUE CA D 996
source : CC6

2) chain D
residue 194
type
sequence N
description BINDING SITE FOR RESIDUE CA D 996
source : CC6

3) chain D
residue 196
type
sequence G
description BINDING SITE FOR RESIDUE CA D 996
source : CC6

4) chain D
residue 198
type
sequence D
description BINDING SITE FOR RESIDUE CA D 996
source : CC6

5) chain D
residue 179
type
sequence D
description BINDING SITE FOR RESIDUE CA D 997
source : CC7

6) chain D
residue 180
type
sequence G
description BINDING SITE FOR RESIDUE CA D 997
source : CC7

7) chain D
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE CA D 997
source : CC7

8) chain D
residue 184
type
sequence L
description BINDING SITE FOR RESIDUE CA D 997
source : CC7

9) chain D
residue 202
type
sequence D
description BINDING SITE FOR RESIDUE CA D 997
source : CC7

10) chain D
residue 205
type
sequence E
description BINDING SITE FOR RESIDUE CA D 997
source : CC7

11) chain D
residue 172
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 998
source : CC8

12) chain D
residue 174
type
sequence D
description BINDING SITE FOR RESIDUE ZN D 998
source : CC8

13) chain D
residue 187
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 998
source : CC8

14) chain D
residue 200
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 998
source : CC8

15) chain D
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 999
source : CC9

16) chain D
residue 226
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 999
source : CC9

17) chain D
residue 232
type
sequence H
description BINDING SITE FOR RESIDUE ZN D 999
source : CC9

18) chain D
residue 176
type
sequence Y
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

19) chain D
residue 184
type
sequence L
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

20) chain D
residue 187
type
sequence H
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

21) chain D
residue 189
type
sequence F
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

22) chain D
residue 190
type
sequence P
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

23) chain D
residue 133
type
sequence E
description BINDING SITE FOR RESIDUE EPE D 4
source : DC2

24) chain D
residue 137
type
sequence A
description BINDING SITE FOR RESIDUE EPE D 4
source : DC2

25) chain D
residue 140
type
sequence K
description BINDING SITE FOR RESIDUE EPE D 4
source : DC2

26) chain D
residue 209
type
sequence S
description BINDING SITE FOR RESIDUE EPE D 4
source : DC2

27) chain D
residue 217
type
sequence F
description BINDING SITE FOR RESIDUE EPE D 4
source : DC2

28) chain D
residue 139
type
sequence K
description BINDING SITE FOR RESIDUE SO4 D 268
source : DC3

29) chain D
residue 155
type
sequence R
description BINDING SITE FOR RESIDUE SO4 D 268
source : DC3

30) chain D
residue 115
type
sequence K
description BINDING SITE FOR RESIDUE SO4 D 8
source : DC4

31) chain D
residue 116
type
sequence M
description BINDING SITE FOR RESIDUE SO4 D 8
source : DC4

32) chain D
residue 117
type
sequence N
description BINDING SITE FOR RESIDUE SO4 D 8
source : DC4

33) chain D
residue 108
type
sequence P
description BINDING SITE FOR RESIDUE SO4 D 9
source : DC5

34) chain D
residue 109
type
sequence R
description BINDING SITE FOR RESIDUE SO4 D 9
source : DC5

35) chain D
residue 183
type
sequence G
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

36) chain D
residue 184
type
sequence L
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

37) chain D
residue 185
type
sequence L
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

38) chain D
residue 186
type
sequence A
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

39) chain D
residue 218
type
sequence L
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

40) chain D
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

41) chain D
residue 223
type
sequence E
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

42) chain D
residue 226
type
sequence H
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

43) chain D
residue 232
type
sequence H
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

44) chain D
residue 238
type
sequence A
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

45) chain D
residue 239
type
sequence L
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

46) chain D
residue 241
type
sequence F
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

47) chain D
residue 242
type
sequence P
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

48) chain D
residue 243
type
sequence I
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

49) chain D
residue 244
type
sequence Y
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

50) chain D
residue 245
type
sequence T
description BINDING SITE FOR RESIDUE LA3 D 804
source : DC6

51) chain D
residue 223
type ACT_SITE
sequence E
description ACT_SITE => ECO:0000305|PubMed:23913860
source Swiss-Prot : SWS_FT_FI1

52) chain D
residue 128
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

53) chain D
residue 162
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

54) chain D
residue 179
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

55) chain D
residue 180
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

56) chain D
residue 182
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

57) chain D
residue 184
type BINDING
sequence L
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

58) chain D
residue 194
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

59) chain D
residue 196
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

60) chain D
residue 198
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

61) chain D
residue 202
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

62) chain D
residue 203
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

63) chain D
residue 205
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
source Swiss-Prot : SWS_FT_FI2

64) chain D
residue 172
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

65) chain D
residue 174
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

66) chain D
residue 187
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

67) chain D
residue 200
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

68) chain D
residue 222
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

69) chain D
residue 226
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

70) chain D
residue 232
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

71) chain D
residue 240
type BINDING
sequence M
description BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
source Swiss-Prot : SWS_FT_FI3

72) chain D
residue 117
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8576151
source Swiss-Prot : SWS_FT_FI4

73) chain D
residue 152
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI5


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