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4G1Q

Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug

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 T27 A 601
ChainResidue
ALEU100
APRO236
ATYR318
AHOH863
BHOH724
ALYS101
ATYR181
ATYR188
APRO225
APHE227
ATRP229
ALEU234
AHIS235

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 602
ChainResidue
AMET41
ALYS73
ATYR146
APRO150
AGLN151
AHOH815
AHOH1147

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 603
ChainResidue
ALYS331
AGLY333
AGLN334
ALYS512
AHOH824
AHOH1033

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 604
ChainResidue
AARG277
AGLN278
ALYS281
AGLN334
AARG356
AHOH1070

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 605
ChainResidue
ALYS476
ASER515
AGLU516
ALEU517
AHOH1185

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 606
ChainResidue
ALEU425
ATRP426
ATYR427
AGLN509
AHOH895

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 607
ChainResidue
AGLU6
AVAL8
ASER162
ASER163
AHOH715
BPRO52

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 608
ChainResidue
AASP443
AASP549
AHOH1092
AHOH1130
AHOH1131
AHOH1155

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 501
ChainResidue
BLEU234
BHIS235
BTRP239

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 502
ChainResidue
ATHR403
AGLU404
ATYR405
BLYS331
BGLN332
BLYS424
BHOH834
BHOH913

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 503
ChainResidue
BTRP24
BGLU399
BTRP402
BHOH817

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 504
ChainResidue
BILE31
BILE132
BPRO133
BSER134
BILE142
BHOH625
BHOH636

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 505
ChainResidue
BLYS65
BVAL108
BASP186
BHOH681
BHOH694
BHOH721
BHOH865

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

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PDB entries from 2024-10-30

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