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6UL5

Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0003676molecular_functionnucleic acid binding
A0003964molecular_functionRNA-directed DNA polymerase activity
A0004523molecular_functionRNA-DNA hybrid ribonuclease activity
A0006278biological_processRNA-templated DNA biosynthetic process
B0003964molecular_functionRNA-directed DNA polymerase activity
B0006278biological_processRNA-templated DNA biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues13
Detailsbinding site for residue QAG A 601
ChainResidue
ALEU100
APRO236
ATYR318
BGLU138
BHOH647
ALYS101
ALYS103
ATYR181
ATYR188
APHE227
ATRP229
ALEU234
AHIS235

site_idAC2
Number of Residues4
Detailsbinding site for residue SO4 A 602
ChainResidue
ALYS73
ATYR146
APRO150
AGLN151

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 603
ChainResidue
ALYS476
ASER515
AGLU516
ALEU517

site_idAC4
Number of Residues5
Detailsbinding site for residue SO4 A 604
ChainResidue
ALYS331
AGLY333
AGLN334
ALYS512
AHOH728

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 605
ChainResidue
AARG277
AGLN278
ALYS281
AHOH714

site_idAC6
Number of Residues3
Detailsbinding site for residue EDO A 606
ChainResidue
ATHR473
AASN474
AGLN475

site_idAC7
Number of Residues2
Detailsbinding site for residue EDO A 607
ChainResidue
ASER3
AHOH722

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 608
ChainResidue
ALEU425
ATRP426
ATYR427
AGLN509
AHOH805

site_idAC9
Number of Residues7
Detailsbinding site for residue EDO A 609
ChainResidue
AGLN161
AILE180
ATYR181
AGLN182
BGLU138
BTHR139
BPRO140

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 610
ChainResidue
AGLU6
AVAL8
ASER163
AHOH830

site_idAD2
Number of Residues7
Detailsbinding site for residue MG A 611
ChainResidue
AASP443
AASP498
AASP549
AHOH743
AHOH760
AHOH827
AHOH831

site_idAD3
Number of Residues2
Detailsbinding site for residue SO4 B 501
ChainResidue
BHIS235
BTRP239

site_idAD4
Number of Residues8
Detailsbinding site for residue SO4 B 502
ChainResidue
ATHR403
AGLU404
ATYR405
BLYS331
BGLN332
BGLY333
BLYS424
BHOH682

site_idAD5
Number of Residues4
Detailsbinding site for residue SO4 B 503
ChainResidue
ALYS104
BPRO97
BALA98
BGLY99

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO B 504
ChainResidue
BTRP24
BGLU399
BTRP402
BTHR403
BHOH601

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsBINDING:
ChainResidueDetails
BASP110
BASP185
BASP186

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Essential for RT p66/p51 heterodimerization
ChainResidueDetails
BTRP401
BTRP414
AASP498
AASP549

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Essential for RT p66/p51 heterodimerization
ChainResidueDetails
ATRP401
ATRP414

site_idSWS_FT_FI4
Number of Residues1
DetailsSITE: Cleavage; by viral protease; partial
ChainResidueDetails
APHE440

220760

PDB entries from 2024-06-05

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