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3AVA

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
AHOH275

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
ALEU172
AHOH222
AHOH247
ALYS71
AARG166
AHIS171

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 6
ChainResidue
AHOH27
AGLY94
ASER123
ATHR124
ATHR125
AHOH252
AHOH261

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 8
ChainResidue
AGLU85
AALA86
AGLU87
APHE100
ALYS103
BSO47
BARG107

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 1
ChainResidue
AGLU92

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159
BHOH218
BHOH258

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BLYS71
BARG166
BHIS171
BLEU172
BHOH227
BHOH286

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 5
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BHOH262
BHOH263

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 7
ChainResidue
ASO48
AARG107
BGLU85
BALA86
BGLU87
BPHE100
BLYS103
BHOH280

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY B 213
ChainResidue
AASN184
AHIS185
BGLY106
BARG107
BTRP108
BPRO109
BHOH216

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY B 2
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
BHOH4
BASN184
BHIS185

site_idBC3
Number of Residues15
DetailsBINDING SITE FOR CHAIN X OF LEDGF PEPTIDE
ChainResidue
AASP167
AGLN168
AALA169
AGLU170
AHIS171
ATHR174
AMET178
AHOH236
AHOH250
AHOH255
BGLN95
BTHR124
BTHR125
BTRP132
BHOH256

site_idBC4
Number of Residues11
DetailsBINDING SITE FOR CHAIN Y OF LEDGF PEPTIDE
ChainResidue
AGLN95
ATHR124
AHOH268
BASP167
BGLN168
BALA169
BGLU170
BHIS171
BTHR174
BMET178
BHOH247

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 2024-07-24

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