eF-site ID 2xcf-ABCD
PDB Code 2xcf
Chain A, B, C, D

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Title Crystal structure of HCV NS3 protease with a boronate inhibitor
Classification HYDROLASE
Compound NS3 PROTEASE
Source (C9WU77_9HEPC)
Sequence A:  APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAT
QTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQ
DLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSAGGPLLCPAGHAVGLFRAAVCT
RGVAKAVDFIPVENLETTMR
B:  QVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASP
KGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLV
TRHADVIPVRRRGDSRGSLLSPRPISYLKGSAGGPLLCPA
GHAVGLFRAAVCTRGVAKAVDFIPVENLETTMR
C:  KGSVVIVGRIVLSGKPAIIPK
D:  GSVVIVGRIVLSGKPA
Description (1)  NS3 PROTEASE, NS4A


Functional site

1) chain A
residue 97
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 400
source : AC1

2) chain A
residue 99
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 400
source : AC1

3) chain A
residue 145
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 400
source : AC1

4) chain A
residue 5
type
sequence A
description BINDING SITE FOR RESIDUE MG A 1181
source : AC2

5) chain A
residue 111
type
sequence A
description BINDING SITE FOR RESIDUE MG A 1181
source : AC2

6) chain A
residue 41
type
sequence Q
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

7) chain A
residue 57
type
sequence H
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

8) chain A
residue 81
type
sequence D
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

9) chain A
residue 135
type
sequence L
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

10) chain A
residue 137
type
sequence G
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

11) chain A
residue 138
type
sequence S
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

12) chain A
residue 139
type
sequence A
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

13) chain A
residue 154
type
sequence F
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

14) chain A
residue 155
type
sequence R
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

15) chain A
residue 156
type
sequence A
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

16) chain A
residue 157
type
sequence A
description BINDING SITE FOR RESIDUE BBQ A 1182
source : AC3

17) chain B
residue 97
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 400
source : AC4

18) chain B
residue 99
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 400
source : AC4

19) chain B
residue 145
type
sequence C
description BINDING SITE FOR RESIDUE ZN B 400
source : AC4

20) chain A
residue 4
type
sequence T
description BINDING SITE FOR RESIDUE MG C 1041
source : AC5

21) chain C
residue 31
type
sequence L
description BINDING SITE FOR RESIDUE MG C 1041
source : AC5

22) chain C
residue 33
type
sequence G
description BINDING SITE FOR RESIDUE MG C 1041
source : AC5


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