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3NFA

Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based 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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS136
ALYS159
AHOH224

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
ALEU172
AHOH248
ALYS71
AARG166
AHIS171

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 5
ChainResidue
AGLY94
ASER123
ATHR124
ATHR125
AHOH227
AHOH228

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 7
ChainResidue
AGLU85
AALA86
AGLU87
ALYS103
BSO48
BARG107

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CBJ A 213
ChainResidue
AVAL79
AALA80
ASER81
AGLY82
AILE84
AMET154
ALEU158
AHIS183

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CBJ A 235
ChainResidue
AGLN168
AALA169
AGLU170
AHIS171
ATHR174
AMET178
BGLN95
BTRP132

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY A 1
ChainResidue
AACY3
AALA105
AGLY106
AARG107
ATRP108
AHOH232
BHIS185

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACY A 3
ChainResidue
AACY1
AARG107
ATRP108
APRO109
AHOH232
BTRP108
BGLY197
BVAL201

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACY A 214
ChainResidue
AHOH18
AGLU87
AACY215
BTYR99
BLYS103

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACY A 215
ChainResidue
ATYR99
ALYS103
AACY214
AHOH252
BHOH27
BGLU87

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159
BHOH221

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BLYS71
BARG166
BGLU170
BHIS171
BLEU172
BHOH220

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 6
ChainResidue
BGLY94
BSER123
BTHR124
BTHR125
BHOH226
BHOH227

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 8
ChainResidue
ASO47
AARG107
BGLU85
BALA86
BGLU87
BPHE100
BLYS103

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CBJ B 222
ChainResidue
BVAL79
BALA80
BSER81
BGLY82
BILE84
BMET154
BLEU158
BHIS183

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CBJ B 245
ChainResidue
ATRP132
BGLN168
BALA169
BGLU170
BHIS171
BTHR174
BMET178
AGLN95

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACY B 2
ChainResidue
AHIS185
BALA105
BGLY106
BARG107
BTRP108
BPRO109
BHOH223

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

数据于2024-04-24公开中

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