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3NF6

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
AHOH256

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 4
ChainResidue
AHIS171
ALEU172
AHOH13
ALYS71
AARG166

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 213
ChainResidue
AASN184
AHIS185
AHOH244
BGLY106
BPRO109

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1
ChainResidue
ASER123
ATHR125
AHOH239

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACY A 214
ChainResidue
AGLU85
AGLU87
APHE100
ALYS103
ALEU104
AARG107
AHOH259
BARG107

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE IMV A 215
ChainResidue
AALA169
AGLU170
AHIS171
ATHR174
BGLN95
BTYR99
BLEU102
BTHR125
BALA128
BALA129
BTRP132

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE IMV A 230
ChainResidue
AVAL79
AGLY82
AILE84
AVAL150
AMET154
AGLU157
AHIS183

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1
ChainResidue
BTHR66
BHIS67
BLYS111
BLYS136
BLYS159
BHOH255

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 3
ChainResidue
BHOH14
BLYS71
BHIS171
BLEU172
BHOH259

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 213
ChainResidue
AGLY106
AARG107
BEDO4
BTYR83
BASN184
BHIS185
BGLY197

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 214
ChainResidue
AARG187
BHOH29
BGLU92
BTHR93
BGLY94
BHOH254

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 4
ChainResidue
AARG107
APRO109
BGLY197
BVAL201
BEDO213

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 2
ChainResidue
BSER123
BTHR125
BHOH227

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACY B 215
ChainResidue
AARG107
AHOH259
BGLU85
BGLU87
BPHE100
BLYS103
BLEU104
BARG107

site_idBC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE IMV B 216
ChainResidue
AGLN95
ATYR99
ALEU102
ATHR125
AALA128
AALA129
ATRP132
AHOH246
BALA169
BGLU170
BHIS171
BTHR174
BMET178
BHOH248

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE IMV B 231
ChainResidue
BVAL79
BGLY82
BILE84
BVAL150
BILE151
BMET154
BGLU157
BHIS183

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

217705

数据于2024-03-27公开中

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