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3LAK

Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside 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
B0003676molecular_functionnucleic acid binding
B0003964molecular_functionRNA-directed DNA polymerase activity
B0004523molecular_functionRNA-DNA hybrid ribonuclease activity
B0006278biological_processRNA-templated DNA biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE KR1 A 701
ChainResidue
ALEU100
APHE227
ATRP229
ALEU234
AHIS235
APRO236
ATYR318
AHOH592
AHOH656
ALYS101
ALYS103
AVAL106
ATYR181
ATYR188
AVAL189
AGLY190
APRO225

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 561
ChainResidue
AARG211
AGLY436
AALA437
AGLU438
AASN460
AARG461
BALA288

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 562
ChainResidue
AGLY436
AARG461

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 563
ChainResidue
AARG211
AASN460
BTHR286
BALA288
BGLU291

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 564
ChainResidue
ALYS476
ASER515
AGLU516
ALEU517

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 561
ChainResidue
BTRP239

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues190
DetailsDomain: {"description":"Reverse transcriptase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00405","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues8
DetailsRegion: {"description":"RT 'primer grip'","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues32
DetailsMotif: {"description":"Tryptophan repeat motif","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues6
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues2
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"12206668","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues4
DetailsSite: {"description":"Essential for RT p66/p51 heterodimerization","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues1
DetailsSite: {"description":"Cleavage; by viral protease; partial","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idMCSA1
Number of Residues
DetailsM-CSA 175
ChainResidueDetails

site_idMCSA2
Number of Residues
DetailsM-CSA 175
ChainResidueDetails

245663

PDB entries from 2025-12-03

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