eF-site ID 6c2m-ABCD
PDB Code 6c2m
Chain A, B, C, D

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Title Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172
Classification HYDROLASE/HYDROLASE Inhibitor
Compound NS3 protease
Source (C1KIK8_9HEPC)
Sequence A:  KGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQ
VEGEVQIVSTATQTFLATSINGVLWTVHHGAGTRTIASPK
GPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVT
RHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAG
HAVGIFRAAVSTRGVAKAVDFIPVESLETTM
B:  KGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQ
VEGEVQIVSTATQTFLATSINGVLWTVHHGAGTRTIASPK
GPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVT
RHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAG
HAVGIFRAAVSTRGVAKAVDFIPVESLETTM
C:  KGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQ
VEGEVQIVSTATQTFLATSINGVLWTVHHGAGTRTIASPK
GPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVT
RHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAG
HAVGIFRAAVSTRGVAKAVDFIPVESLETTM
D:  KGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQ
VEGEVQIVSTATQTFLATSINGVLWTVHHGAGTRTIASPK
GPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVT
RHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAG
HAVGIFRAAVSTRGVAKAVDFIPVESLETTM
Description


Functional site

1) chain A
residue 1097
type
sequence C
description binding site for residue ZN A 1201
source : AC1

2) chain A
residue 1099
type
sequence C
description binding site for residue ZN A 1201
source : AC1

3) chain A
residue 1145
type
sequence C
description binding site for residue ZN A 1201
source : AC1

4) chain A
residue 1043
type
sequence F
description binding site for residue SUE A 1202
source : AC2

5) chain A
residue 1056
type
sequence H
description binding site for residue SUE A 1202
source : AC2

6) chain A
residue 1057
type
sequence H
description binding site for residue SUE A 1202
source : AC2

7) chain A
residue 1058
type
sequence G
description binding site for residue SUE A 1202
source : AC2

8) chain A
residue 1078
type
sequence V
description binding site for residue SUE A 1202
source : AC2

9) chain A
residue 1081
type
sequence D
description binding site for residue SUE A 1202
source : AC2

10) chain A
residue 1123
type
sequence R
description binding site for residue SUE A 1202
source : AC2

11) chain A
residue 1135
type
sequence L
description binding site for residue SUE A 1202
source : AC2

12) chain A
residue 1136
type
sequence K
description binding site for residue SUE A 1202
source : AC2

13) chain A
residue 1137
type
sequence G
description binding site for residue SUE A 1202
source : AC2

14) chain A
residue 1138
type
sequence S
description binding site for residue SUE A 1202
source : AC2

15) chain A
residue 1139
type
sequence S
description binding site for residue SUE A 1202
source : AC2

16) chain A
residue 1154
type
sequence F
description binding site for residue SUE A 1202
source : AC2

17) chain A
residue 1155
type
sequence R
description binding site for residue SUE A 1202
source : AC2

18) chain A
residue 1156
type
sequence A
description binding site for residue SUE A 1202
source : AC2

19) chain A
residue 1157
type
sequence A
description binding site for residue SUE A 1202
source : AC2

20) chain B
residue 1097
type
sequence C
description binding site for residue ZN B 1201
source : AC3

21) chain B
residue 1099
type
sequence C
description binding site for residue ZN B 1201
source : AC3

22) chain B
residue 1145
type
sequence C
description binding site for residue ZN B 1201
source : AC3

23) chain B
residue 1041
type
sequence Q
description binding site for residue SUE B 1202
source : AC4

24) chain B
residue 1043
type
sequence F
description binding site for residue SUE B 1202
source : AC4

25) chain B
residue 1056
type
sequence H
description binding site for residue SUE B 1202
source : AC4

26) chain B
residue 1057
type
sequence H
description binding site for residue SUE B 1202
source : AC4

27) chain B
residue 1058
type
sequence G
description binding site for residue SUE B 1202
source : AC4

28) chain B
residue 1078
type
sequence V
description binding site for residue SUE B 1202
source : AC4

29) chain B
residue 1081
type
sequence D
description binding site for residue SUE B 1202
source : AC4

30) chain B
residue 1123
type
sequence R
description binding site for residue SUE B 1202
source : AC4

31) chain B
residue 1132
type
sequence I
description binding site for residue SUE B 1202
source : AC4

32) chain B
residue 1135
type
sequence L
description binding site for residue SUE B 1202
source : AC4

33) chain B
residue 1136
type
sequence K
description binding site for residue SUE B 1202
source : AC4

34) chain B
residue 1137
type
sequence G
description binding site for residue SUE B 1202
source : AC4

35) chain B
residue 1138
type
sequence S
description binding site for residue SUE B 1202
source : AC4

36) chain B
residue 1139
type
sequence S
description binding site for residue SUE B 1202
source : AC4

37) chain B
residue 1154
type
sequence F
description binding site for residue SUE B 1202
source : AC4

38) chain B
residue 1155
type
sequence R
description binding site for residue SUE B 1202
source : AC4

39) chain B
residue 1156
type
sequence A
description binding site for residue SUE B 1202
source : AC4

40) chain B
residue 1157
type
sequence A
description binding site for residue SUE B 1202
source : AC4

41) chain A
residue 1001
type
sequence S
description binding site for residue SO4 C 1201
source : AC5

42) chain A
residue 1002
type
sequence G
description binding site for residue SO4 C 1201
source : AC5

43) chain A
residue 1003
type
sequence D
description binding site for residue SO4 C 1201
source : AC5

44) chain A
residue 1004
type
sequence T
description binding site for residue SO4 C 1201
source : AC5

45) chain C
residue 1011
type
sequence R
description binding site for residue SO4 C 1201
source : AC5

46) chain C
residue 1012
type
sequence G
description binding site for residue SO4 C 1201
source : AC5

47) chain C
residue 1015
type
sequence G
description binding site for residue SO4 C 1201
source : AC5

48) chain C
residue 1097
type
sequence C
description binding site for residue ZN C 1202
source : AC6

49) chain C
residue 1099
type
sequence C
description binding site for residue ZN C 1202
source : AC6

50) chain C
residue 1145
type
sequence C
description binding site for residue ZN C 1202
source : AC6

51) chain C
residue 1041
type
sequence Q
description binding site for residue SUE C 1203
source : AC7

52) chain C
residue 1056
type
sequence H
description binding site for residue SUE C 1203
source : AC7

53) chain C
residue 1057
type
sequence H
description binding site for residue SUE C 1203
source : AC7

54) chain C
residue 1078
type
sequence V
description binding site for residue SUE C 1203
source : AC7

55) chain C
residue 1081
type
sequence D
description binding site for residue SUE C 1203
source : AC7

56) chain C
residue 1123
type
sequence R
description binding site for residue SUE C 1203
source : AC7

57) chain C
residue 1132
type
sequence I
description binding site for residue SUE C 1203
source : AC7

58) chain C
residue 1135
type
sequence L
description binding site for residue SUE C 1203
source : AC7

59) chain C
residue 1136
type
sequence K
description binding site for residue SUE C 1203
source : AC7

60) chain C
residue 1137
type
sequence G
description binding site for residue SUE C 1203
source : AC7

61) chain C
residue 1138
type
sequence S
description binding site for residue SUE C 1203
source : AC7

62) chain C
residue 1139
type
sequence S
description binding site for residue SUE C 1203
source : AC7

63) chain C
residue 1154
type
sequence F
description binding site for residue SUE C 1203
source : AC7

64) chain C
residue 1155
type
sequence R
description binding site for residue SUE C 1203
source : AC7

65) chain C
residue 1156
type
sequence A
description binding site for residue SUE C 1203
source : AC7

66) chain C
residue 1157
type
sequence A
description binding site for residue SUE C 1203
source : AC7

67) chain D
residue 1097
type
sequence C
description binding site for residue ZN D 1201
source : AC8

68) chain D
residue 1099
type
sequence C
description binding site for residue ZN D 1201
source : AC8

69) chain D
residue 1145
type
sequence C
description binding site for residue ZN D 1201
source : AC8

70) chain D
residue 1149
type
sequence H
description binding site for residue ZN D 1201
source : AC8

71) chain D
residue 1056
type
sequence H
description binding site for residue SUE D 1202
source : AC9

72) chain D
residue 1057
type
sequence H
description binding site for residue SUE D 1202
source : AC9

73) chain D
residue 1058
type
sequence G
description binding site for residue SUE D 1202
source : AC9

74) chain D
residue 1078
type
sequence V
description binding site for residue SUE D 1202
source : AC9

75) chain D
residue 1081
type
sequence D
description binding site for residue SUE D 1202
source : AC9

76) chain D
residue 1123
type
sequence R
description binding site for residue SUE D 1202
source : AC9

77) chain D
residue 1132
type
sequence I
description binding site for residue SUE D 1202
source : AC9

78) chain D
residue 1135
type
sequence L
description binding site for residue SUE D 1202
source : AC9

79) chain D
residue 1136
type
sequence K
description binding site for residue SUE D 1202
source : AC9

80) chain D
residue 1137
type
sequence G
description binding site for residue SUE D 1202
source : AC9

81) chain D
residue 1138
type
sequence S
description binding site for residue SUE D 1202
source : AC9

82) chain D
residue 1139
type
sequence S
description binding site for residue SUE D 1202
source : AC9

83) chain D
residue 1154
type
sequence F
description binding site for residue SUE D 1202
source : AC9

84) chain D
residue 1155
type
sequence R
description binding site for residue SUE D 1202
source : AC9

85) chain D
residue 1156
type
sequence A
description binding site for residue SUE D 1202
source : AC9

86) chain D
residue 1157
type
sequence A
description binding site for residue SUE D 1202
source : AC9


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