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3AVL

Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site

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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS136
ALYS159
AHOH222

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
ALEU172
AHOH220
AHOH236
ALYS71
AARG166
AHIS171

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 5
ChainResidue
ASER123
ATHR124
ATHR125
AHOH266

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 7
ChainResidue
AGLU85
AALA86
AGLU87
APHE100
ALYS103
AARG107
AHOH265
BSO48
BLYS103
BARG107

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 213
ChainResidue
AGLU92

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY A 1
ChainResidue
AASN184
AHIS185
AGLY197
BALA105
BGLY106
BTRP108
BPRO109

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACY A 214
ChainResidue
AALA105
AGLY106
AARG107
ATRP108
APRO109
BASN184
BHIS185
BGLY197

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159
BHOH269

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BLYS71
BARG166
BHIS171
BLEU172
BHOH216
BHOH237

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 6
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BHOH270

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 8
ChainResidue
ASO47
ALYS103
AARG107
BGLU85
BGLU87
BPHE100
BLYS103
BARG107
BHOH268

site_idBC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 213
ChainResidue
BGLU92

site_idBC4
Number of Residues12
DetailsBINDING SITE FOR CHAIN F OF LEDGF PEPTIDE
ChainResidue
AASP167
AGLN168
AALA169
AGLU170
AHIS171
ATHR174
AMET178
AHOH270
BGLN95
BTHR124
BHOH256
FHOH145

site_idBC5
Number of Residues12
DetailsBINDING SITE FOR CHAIN E OF LEDGF PEPTIDE
ChainResidue
AGLN95
ATHR124
BASP167
BGLN168
BALA169
BGLU170
BHIS171
BTHR174
BMET178
BHOH273
EHOH107
EHOH144

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

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PDB entries from 2024-10-02

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