eF-site ID 1gkd-AB
PDB Code 1gkd
Chain A, B

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Title MMP9 active site mutant-inhibitor complex
Classification HYDROLASE
Compound 92 KDA TYPE IV COLLAGENASE
Source null (MM09_HUMAN)
Sequence A:  FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWS
AVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLA
HAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHQFG
HALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLY
B:  LKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTP
LTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFP
PGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHQFGHALG
LDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLY
Description


Functional site

1) chain A
residue 182
type
sequence D
description BINDING SITE FOR RESIDUE CA A1444
source : AC1

2) chain A
residue 183
type
sequence G
description BINDING SITE FOR RESIDUE CA A1444
source : AC1

3) chain A
residue 185
type
sequence D
description BINDING SITE FOR RESIDUE CA A1444
source : AC1

4) chain A
residue 187
type
sequence L
description BINDING SITE FOR RESIDUE CA A1444
source : AC1

5) chain A
residue 205
type
sequence D
description BINDING SITE FOR RESIDUE CA A1444
source : AC1

6) chain A
residue 208
type
sequence E
description BINDING SITE FOR RESIDUE CA A1444
source : AC1

7) chain A
residue 165
type
sequence D
description BINDING SITE FOR RESIDUE CA A1445
source : AC2

8) chain A
residue 197
type
sequence G
description BINDING SITE FOR RESIDUE CA A1445
source : AC2

9) chain A
residue 199
type
sequence Q
description BINDING SITE FOR RESIDUE CA A1445
source : AC2

10) chain A
residue 201
type
sequence D
description BINDING SITE FOR RESIDUE CA A1445
source : AC2

11) chain A
residue 131
type
sequence D
description BINDING SITE FOR RESIDUE CA A1446
source : AC3

12) chain A
residue 206
type
sequence D
description BINDING SITE FOR RESIDUE CA A1446
source : AC3

13) chain A
residue 208
type
sequence E
description BINDING SITE FOR RESIDUE CA A1446
source : AC3

14) chain A
residue 211
type
sequence S
description BINDING SITE FOR RESIDUE CA A1447
source : AC4

15) chain A
residue 212
type
sequence L
description BINDING SITE FOR RESIDUE CA A1447
source : AC4

16) chain A
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE CA A1447
source : AC4

17) chain A
residue 214
type
sequence K
description BINDING SITE FOR RESIDUE CA A1447
source : AC4

18) chain A
residue 215
type
sequence G
description BINDING SITE FOR RESIDUE CA A1447
source : AC4

19) chain A
residue 401
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1450
source : AC5

20) chain A
residue 405
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1450
source : AC5

21) chain A
residue 411
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1450
source : AC5

22) chain A
residue 175
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1451
source : AC6

23) chain A
residue 177
type
sequence D
description BINDING SITE FOR RESIDUE ZN A1451
source : AC6

24) chain A
residue 190
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1451
source : AC6

25) chain A
residue 203
type
sequence H
description BINDING SITE FOR RESIDUE ZN A1451
source : AC6

26) chain B
residue 182
type
sequence D
description BINDING SITE FOR RESIDUE CA B1444
source : AC7

27) chain B
residue 183
type
sequence G
description BINDING SITE FOR RESIDUE CA B1444
source : AC7

28) chain B
residue 185
type
sequence D
description BINDING SITE FOR RESIDUE CA B1444
source : AC7

29) chain B
residue 187
type
sequence L
description BINDING SITE FOR RESIDUE CA B1444
source : AC7

30) chain B
residue 205
type
sequence D
description BINDING SITE FOR RESIDUE CA B1444
source : AC7

31) chain B
residue 208
type
sequence E
description BINDING SITE FOR RESIDUE CA B1444
source : AC7

32) chain B
residue 165
type
sequence D
description BINDING SITE FOR RESIDUE CA B1445
source : AC8

33) chain B
residue 197
type
sequence G
description BINDING SITE FOR RESIDUE CA B1445
source : AC8

34) chain B
residue 199
type
sequence Q
description BINDING SITE FOR RESIDUE CA B1445
source : AC8

35) chain B
residue 201
type
sequence D
description BINDING SITE FOR RESIDUE CA B1445
source : AC8

36) chain B
residue 131
type
sequence D
description BINDING SITE FOR RESIDUE CA B1446
source : AC9

37) chain B
residue 206
type
sequence D
description BINDING SITE FOR RESIDUE CA B1446
source : AC9

38) chain B
residue 208
type
sequence E
description BINDING SITE FOR RESIDUE CA B1446
source : AC9

39) chain B
residue 211
type
sequence S
description BINDING SITE FOR RESIDUE CA B1447
source : BC1

40) chain B
residue 212
type
sequence L
description BINDING SITE FOR RESIDUE CA B1447
source : BC1

41) chain B
residue 213
type
sequence G
description BINDING SITE FOR RESIDUE CA B1447
source : BC1

42) chain B
residue 214
type
sequence K
description BINDING SITE FOR RESIDUE CA B1447
source : BC1

43) chain B
residue 215
type
sequence G
description BINDING SITE FOR RESIDUE CA B1447
source : BC1

44) chain B
residue 401
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1450
source : BC2

45) chain B
residue 405
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1450
source : BC2

46) chain B
residue 411
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1450
source : BC2

47) chain B
residue 175
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1451
source : BC3

48) chain B
residue 177
type
sequence D
description BINDING SITE FOR RESIDUE ZN B1451
source : BC3

49) chain B
residue 190
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1451
source : BC3

50) chain B
residue 203
type
sequence H
description BINDING SITE FOR RESIDUE ZN B1451
source : BC3

51) chain A
residue 187
type
sequence L
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

52) chain A
residue 188
type
sequence L
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

53) chain A
residue 189
type
sequence A
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

54) chain A
residue 401
type
sequence H
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

55) chain A
residue 402
type
sequence Q
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

56) chain A
residue 405
type
sequence H
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

57) chain A
residue 411
type
sequence H
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

58) chain A
residue 423
type
sequence Y
description BINDING SITE FOR RESIDUE STN A1448
source : BC4

59) chain A
residue 186
type
sequence G
description BINDING SITE FOR RESIDUE BUM A1449
source : BC5

60) chain A
residue 393
type
sequence Y
description BINDING SITE FOR RESIDUE BUM A1449
source : BC5

61) chain A
residue 421
type
sequence P
description BINDING SITE FOR RESIDUE BUM A1449
source : BC5

62) chain A
residue 423
type
sequence Y
description BINDING SITE FOR RESIDUE BUM A1449
source : BC5

63) chain B
residue 187
type
sequence L
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

64) chain B
residue 188
type
sequence L
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

65) chain B
residue 189
type
sequence A
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

66) chain B
residue 402
type
sequence Q
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

67) chain B
residue 405
type
sequence H
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

68) chain B
residue 411
type
sequence H
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

69) chain B
residue 422
type
sequence M
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

70) chain B
residue 423
type
sequence Y
description BINDING SITE FOR RESIDUE STN B1448
source : BC6

71) chain B
residue 186
type
sequence G
description BINDING SITE FOR RESIDUE BUM B1449
source : BC7

72) chain B
residue 421
type
sequence P
description BINDING SITE FOR RESIDUE BUM B1449
source : BC7

73) chain B
residue 423
type
sequence Y
description BINDING SITE FOR RESIDUE BUM B1449
source : BC7

74) chain A
residue 131
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

75) chain A
residue 205
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

76) chain A
residue 206
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

77) chain A
residue 208
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

78) chain B
residue 131
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

79) chain B
residue 165
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

80) chain B
residue 182
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

81) chain B
residue 183
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

82) chain B
residue 185
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

83) chain B
residue 187
type BINDING
sequence L
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

84) chain B
residue 197
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

85) chain B
residue 199
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

86) chain B
residue 201
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

87) chain B
residue 205
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

88) chain B
residue 206
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

89) chain B
residue 208
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

90) chain A
residue 185
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

91) chain A
residue 187
type BINDING
sequence L
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

92) chain A
residue 197
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

93) chain A
residue 199
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

94) chain A
residue 201
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

95) chain A
residue 165
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

96) chain A
residue 182
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

97) chain A
residue 183
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:12051944
source Swiss-Prot : SWS_FT_FI2

98) chain A
residue 175
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

99) chain A
residue 177
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

100) chain A
residue 190
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

101) chain B
residue 190
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

102) chain B
residue 203
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

103) chain B
residue 175
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

104) chain B
residue 177
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

105) chain A
residue 203
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439
source Swiss-Prot : SWS_FT_FI3

106) chain A
residue 120
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI4

107) chain A
residue 127
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI4

108) chain B
residue 120
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI4

109) chain B
residue 127
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000255
source Swiss-Prot : SWS_FT_FI4


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