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5IDK

Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0003723molecular_functionRNA binding
A0003724molecular_functionRNA helicase activity
A0004252molecular_functionserine-type endopeptidase activity
A0005524molecular_functionATP binding
A0044423cellular_componentvirion component
B0003723molecular_functionRNA binding
B0003724molecular_functionRNA helicase activity
B0004252molecular_functionserine-type endopeptidase activity
B0005524molecular_functionATP binding
B0044423cellular_componentvirion component
C0003723molecular_functionRNA binding
C0003724molecular_functionRNA helicase activity
C0004252molecular_functionserine-type endopeptidase activity
C0005524molecular_functionATP binding
C0044423cellular_componentvirion component
Functional Information from PDB Data
site_idAC1
Number of Residues22
Detailsbinding site for residue 6A8 A 1201
ChainResidue
AASP82
ATHR1134
ASER1135
AGLY1151
AASN1152
AGLY1153
AILE1155
ATYR1161
AHOH1381
AHOH1450
CARG74
AGLY83
CLYS1117
CGLU1122
CHOH1348
AASN84
AALA1036
AHIS1051
AASP1129
ATYR1130
ATHR1132
AGLY1133

site_idAC2
Number of Residues21
Detailsbinding site for residue 6A8 B 1201
ChainResidue
BASP82
BGLY83
BASN84
BALA1036
BHIS1051
BTYR1068
BASP1129
BTYR1130
BTHR1132
BGLY1133
BTHR1134
BSER1135
BGLY1151
BASN1152
BGLY1153
BILE1155
BTYR1161
BHOH1313
BHOH1326
BHOH1411
BHOH1427

site_idAC3
Number of Residues6
Detailsbinding site for residue DMS B 1202
ChainResidue
BGLY70
BSER71
BASN1090
BASP1093
BASN1143
BHOH1359

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL C 1202
ChainResidue
ALYS1015
CARG56
CASP1017
CTHR1019
CTYR1023
CHOH1303

site_idAC5
Number of Residues24
Detailsbinding site for Di-peptide 6A8 C 1201 and SER C 1135
ChainResidue
CASP82
CGLY83
CASN84
CALA1036
CGLY1037
CALA1038
CHIS1051
CTHR1052
CASP1129
CTYR1130
CGLY1133
CTHR1134
CGLY1136
CSER1137
CTYR1150
CGLY1151
CASN1152
CGLY1153
CILE1155
CTYR1161
CHOH1337
CHOH1345
CHOH1405
CHOH1441

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues9
DetailsACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU00860
ChainResidueDetails
AHIS1051
AASP1075
ASER1135
BHIS1051
BASP1075
BSER1135
CHIS1051
CASP1075
CSER1135

223532

PDB entries from 2024-08-07

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