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3NF9

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 Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 2
ChainResidue
ATHR66
AHIS67
ALYS111
ALYS136
ALYS159

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
ALYS71
AHIS171
ALEU172
AHOH233

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 5
ChainResidue
AEDO1
ASER123
ATHR124
ATHR125

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 8
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 10
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
BSO49
BLYS103
BARG107

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CD9 A 220
ChainResidue
AVAL79
AGLY82
AVAL150
AILE151
ASER153
AMET154
AGLU157
AHIS183

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1
ChainResidue
ASO45
ATHR93
AGLY94
AHOH228
BLYS186
BARG187

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 213
ChainResidue
AARG187
BSO46
BTHR93
BGLY94
BHOH232

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ACY A 214
ChainResidue
ATYR83
AASN184
AHIS185
AGLY197
AHOH217
BALA105
BGLY106
BARG107
BTRP108

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACY A 215
ChainResidue
AHIS67
AALA91
AGLU92
BARG187

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BLYS71
BHIS171
BLEU172
BHOH226

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 6
ChainResidue
AEDO213
BGLY94
BSER123
BTHR124
BTHR125
BHOH232
BHOH246

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 7
ChainResidue
BALA169
BGLU170
BHIS171
BTHR174
BACY214
BACY216

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 9
ChainResidue
ASO410
ALYS103
AARG107
BGLU85
BGLU87
BLYS103
BARG107

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 11
ChainResidue
ATYR83
AGLU85
AARG107
ATRP108
BTYR83
BGLU85
BARG107
BTRP108

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CD9 B 213
ChainResidue
BGLU157
BHIS183
BVAL79
BGLY82
BVAL150
BILE151
BSER153
BMET154

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACY B 214
ChainResidue
BSO47
BHIS171
BLYS173
BTHR174

site_idCC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ACY B 215
ChainResidue
AGLY106
AARG107
ATRP108
APRO109
BHOH17
BTYR83
BASN184
BHIS185
BGLY197

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACY B 5
ChainResidue
AARG187
BHIS67
BVAL72
BGLU92
BHOH241

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACY B 216
ChainResidue
BSO47
BGLN168
BMET178
BHOH230
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

218853

数据于2024-04-24公开中

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