Structure of PDB 8tcm Chain B Binding Site BS05

Receptor Information
>8tcm Chain B (length=313) Species: 672471 (HIV whole-genome vector AA1305#18) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKIS
KIGPENPYNTPVFAIKTKWRKLVDFRELNKRTQDFPHPAGLKKKKSVTVL
DVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAI
FQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKISELRQHL
LRWGLTTPDGYELHPDKWTGYDPSDLIAEIQKQGQGQWTYQIYQNLKTGK
YARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWT
EYWQATWIPEWEF
Ligand information
Ligand IDZQT
InChIInChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2
InChIKeyWRWDLBILCDUPOS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1
OpenEye OEToolkits 2.0.7c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O
ACDLabs 12.01Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21
FormulaC13 H10 O5
Name9H-xanthene-1,3,6,8-tetrol
ChEMBL
DrugBank
ZINC
PDB chain8tcm Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tcm Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1) with picric acid and xanthene bound
Resolution1.82 Å
Binding residue
(original residue number in PDB)		H-1 I37 M41 E44 F116
Binding residue
(residue number reindexed from 1)		H1 I39 M43 E46 F107
Annotation score1
External links
PDB RCSB:8tcm, PDBe:8tcm, PDBj:8tcm
PDBsum8tcm
PubMed
UniProtP04585|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol)

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