Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3ZSR

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 B 1210
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1210
ChainResidue
ALYS159
AHOH2009
AHOH2078
ATHR66
AHIS67
ALYS111
ALYS136

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1211
ChainResidue
BLYS71
BARG166
BHIS171
BLEU172
BHOH2012
BHOH2075
BHOH2088

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1211
ChainResidue
ALYS71
AARG166
AHIS171
ALEU172
AHOH2012
AHOH2091
AHOH2094

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1212
ChainResidue
AGLU85
AALA86
AGLU87
APHE100
ALYS103
BARG107

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1212
ChainResidue
AARG107
BGLU85
BALA86
BGLU87
BPHE100
BLYS103

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 1213
ChainResidue
BHIS185

site_idAC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 1213
ChainResidue
AHIS185

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1214
ChainResidue
AGLY94
ASER123
ATHR124
ATHR125
AHOH2037
AHOH2038

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1214
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BHOH2030
BHOH2031
BHOH2050

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE O3N B 1215
ChainResidue
AGLN95
AGLU96
ATYR99
AHOH2036
BASP167
BGLN168
BALA169
BGLU170
BHIS171
BTHR174
BMET178
BHOH2078

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE O3N A 1215
ChainResidue
AASP167
AGLN168
AALA169
AGLU170
AHIS171
ATHR174
AMET178
AHOH2110
BGLN95
BGLU96
BTYR99

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

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon