eF-site ID 2obq-A
PDB Code 2obq
Chain A

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Title Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
Classification VIRAL PROTEIN
Compound Hepatitis C virus
Source Hepatitis C virus genotype 1a (isolate H) (HCV) (POLG_HCVH)
Sequence A:  APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAT
QTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQ
DLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCT
RGVAKAVDFIPVENLETTMR
Description


Functional site

1) chain A
residue 97
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 901
source : AC1

2) chain A
residue 99
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 901
source : AC1

3) chain A
residue 145
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 901
source : AC1

4) chain A
residue 57
type catalytic
sequence H
description 776
source MCSA : MCSA1

5) chain A
residue 81
type catalytic
sequence D
description 776
source MCSA : MCSA1

6) chain A
residue 137
type catalytic
sequence G
description 776
source MCSA : MCSA1

7) chain A
residue 139
type catalytic
sequence S
description 776
source MCSA : MCSA1

8) chain A
residue 57
type ACT_SITE
sequence H
description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:8386278, ECO:0000305|PubMed:8861917
source Swiss-Prot : SWS_FT_FI1

9) chain A
residue 81
type ACT_SITE
sequence D
description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8861917
source Swiss-Prot : SWS_FT_FI2

10) chain A
residue 139
type ACT_SITE
sequence S
description Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:8248148, ECO:0000269|PubMed:8386278, ECO:0000305|PubMed:8861917
source Swiss-Prot : SWS_FT_FI3

11) chain A
residue 97
type BINDING
sequence C
description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1A1R, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI
source Swiss-Prot : SWS_FT_FI4

12) chain A
residue 99
type BINDING
sequence C
description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1A1R, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI
source Swiss-Prot : SWS_FT_FI4

13) chain A
residue 145
type BINDING
sequence C
description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI
source Swiss-Prot : SWS_FT_FI5

14) chain A
residue 149
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982
source Swiss-Prot : SWS_FT_FI6


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