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3ZSV

Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design

Functional Information from GO Data
ChainGOidnamespacecontents
A0003676molecular_functionnucleic acid binding
A0015074biological_processDNA integration
B0003676molecular_functionnucleic acid binding
B0015074biological_processDNA integration
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1210
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS136
ALYS159

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
AHOH2008
AHOH2062
ALYS71
AARG166
AHIS171
ALEU172

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACY A 1212
ChainResidue
AGLU85
AALA86
AGLU87
APHE100
ALYS103
BARG107

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1213
ChainResidue
AGLY197
BARG107
BPRO109

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1214
ChainResidue
ASER123
ATHR124
ATHR125
AHOH2025
BHOH2056

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE ZSV A 1215
ChainResidue
AGLN95
AGLU96
AALA98
ATYR99
AALA128
AALA129
AHOH2023
BASP167
BGLN168
BALA169
BGLU170
BHIS171
BTHR174
BMET178

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1210
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BLYS71
BARG166
BHIS171
BLEU172
BHOH2010
BHOH2062

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACY B 1212
ChainResidue
AARG107
BGLU85
BALA86
BGLU87
BPHE100
BLYS103

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1213
ChainResidue
AARG107
APRO109
BGLY197

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 1214
ChainResidue
AHOH2057
BSER123
BTHR124
BTHR125
BHOH2028

site_idBC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE ZSV B 1215
ChainResidue
AASP167
AGLN168
AALA169
AGLU170
AHIS171
ATHR174
AMET178
AHOH2063
BGLN95
BGLU96
BALA98
BTYR99
BALA128
BALA129
BHOH2025

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AASP64
AASP116
BASP64
BASP116

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P04585
ChainResidueDetails
AGLU152
BGLU152

218853

PDB entries from 2024-04-24

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