Structure of PDB 1lw2 Chain A Binding Site BS01

Receptor Information
>1lw2 Chain A (length=519) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKI
GPENPYNTPVFARKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVL
DVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAI
FQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHL
LRWGLYTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQK
LVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREI
LKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRG
AHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQAT
WIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDAGYVTNRGRQKVVTLT
DTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQ
IIEQLIKKEKVYLAWVPAH
Ligand information
Ligand IDU05
InChIInChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
InChIKeyYCFJZPGDTZVVSM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C
CACTVS 3.341CCN1c2cc(ccc2N(C)C(=O)c3cccnc13)[N+]([O-])=O
OpenEye OEToolkits 1.5.0CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]
FormulaC15 H14 N4 O3
Name6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE;
1051U91
ChEMBLCHEMBL71927
DrugBankDB08665
ZINC
PDB chain1lw2 Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1lw2 Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		P95 L100 Y181 Y188 Y318
Binding residue
(residue number reindexed from 1)		P86 L91 Y172 Y179 Y309
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.-
2.7.7.49: RNA-directed DNA polymerase.
2.7.7.7: DNA-directed DNA polymerase.
3.1.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
3.4.23.16: HIV-1 retropepsin.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003964 RNA-directed DNA polymerase activity
GO:0004523 RNA-DNA hybrid ribonuclease activity
Biological Process
GO:0006278 RNA-templated DNA biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1lw2, PDBe:1lw2, PDBj:1lw2
PDBsum1lw2
PubMed12208978
UniProtP04585|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol)

[Back to BioLiP]