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

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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 Homo sapiens (Human) (MMP13_HUMAN)
Sequence B:  ANVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFK
VWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSG
LLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHE
FGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQ
SLYG
Description


Functional site

1) chain B
residue 161
type
sequence A
description BINDING SITE FOR RESIDUE CA B 996
source : AC8

2) chain B
residue 162
type
sequence D
description BINDING SITE FOR RESIDUE CA B 996
source : AC8

3) chain B
residue 194
type
sequence N
description BINDING SITE FOR RESIDUE CA B 996
source : AC8

4) chain B
residue 196
type
sequence G
description BINDING SITE FOR RESIDUE CA B 996
source : AC8

5) chain B
residue 198
type
sequence D
description BINDING SITE FOR RESIDUE CA B 996
source : AC8

6) chain B
residue 179
type
sequence D
description BINDING SITE FOR RESIDUE CA B 997
source : AC9

7) chain B
residue 180
type
sequence G
description BINDING SITE FOR RESIDUE CA B 997
source : AC9

8) chain B
residue 182
type
sequence S
description BINDING SITE FOR RESIDUE CA B 997
source : AC9

9) chain B
residue 184
type
sequence L
description BINDING SITE FOR RESIDUE CA B 997
source : AC9

10) chain B
residue 202
type
sequence D
description BINDING SITE FOR RESIDUE CA B 997
source : AC9

11) chain B
residue 205
type
sequence E
description BINDING SITE FOR RESIDUE CA B 997
source : AC9

12) chain B
residue 172
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 998
source : BC1

13) chain B
residue 174
type
sequence D
description BINDING SITE FOR RESIDUE ZN B 998
source : BC1

14) chain B
residue 187
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 998
source : BC1

15) chain B
residue 200
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 998
source : BC1

16) chain B
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 999
source : BC2

17) chain B
residue 226
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 999
source : BC2

18) chain B
residue 232
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 999
source : BC2

19) chain B
residue 176
type
sequence Y
description BINDING SITE FOR RESIDUE EPE B 3
source : BC3

20) chain B
residue 190
type
sequence P
description BINDING SITE FOR RESIDUE EPE B 3
source : BC3

21) chain B
residue 231
type
sequence D
description BINDING SITE FOR RESIDUE EPE B 3
source : BC3

22) chain B
residue 232
type
sequence H
description BINDING SITE FOR RESIDUE EPE B 3
source : BC3

23) chain B
residue 139
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 2
source : BC4

24) chain B
residue 155
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 2
source : BC4

25) chain B
residue 115
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC5

26) chain B
residue 116
type
sequence M
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC5

27) chain B
residue 117
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 6
source : BC5

28) chain B
residue 183
type
sequence G
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

29) chain B
residue 184
type
sequence L
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

30) chain B
residue 185
type
sequence L
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

31) chain B
residue 186
type
sequence A
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

32) chain B
residue 218
type
sequence L
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

33) chain B
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

34) chain B
residue 223
type
sequence E
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

35) chain B
residue 226
type
sequence H
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

36) chain B
residue 232
type
sequence H
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

37) chain B
residue 238
type
sequence A
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

38) chain B
residue 239
type
sequence L
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

39) chain B
residue 241
type
sequence F
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

40) chain B
residue 242
type
sequence P
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

41) chain B
residue 243
type
sequence I
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

42) chain B
residue 244
type
sequence Y
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

43) chain B
residue 245
type
sequence T
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

44) chain B
residue 247
type
sequence T
description BINDING SITE FOR RESIDUE LA3 B 802
source : BC6

45) chain B
residue 193
type
sequence P
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

46) chain B
residue 194
type
sequence N
description BINDING SITE FOR RESIDUE EPE D 2
source : DC1

47) chain B
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

48) chain B
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

49) chain B
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

50) chain B
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

51) chain B
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

52) chain B
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

53) chain B
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

54) chain B
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

55) chain B
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

56) chain B
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

57) chain B
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

58) chain B
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

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

60) chain B
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

61) chain B
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

62) chain B
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

63) chain B
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

64) chain B
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

65) chain B
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

66) chain B
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

67) chain B
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

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

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


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