Structure of PDB 3v1r Chain A Binding Site BS03

Receptor Information
>3v1r Chain A (length=165) Species: 356663 (Xenotropic MuLV-related virus VP35) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGTRPDLTDQPIPDADYTWYTDGSSFLQEGQRRAGAAVTTETEVIWARAL
PAGTSAQRAELIALTQALKMAEGKKLNVYTDSRYAFATAHVHGEIYRRRG
LLTSEGREIKNKNEILALLKALFLPKRLSIIHCPGHQKGNSAEARGNRMA
DQAAREAAMKAVLET
Ligand information
Ligand IDJTH
InChIInChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyHVGNSPLLPQWYGC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)C1=CC=C(O)C(=O)C(=C1)O
ACDLabs 11.02O=C1C(O)=CC=C(C=C1O)C(C)C
OpenEye OEToolkits 1.7.0CC(C)C1=CC=C(C(=O)C(=C1)O)O
FormulaC10 H12 O3
Name2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;
beta-thujaplicinol
ChEMBLCHEMBL550937
DrugBank
ZINCZINC000005447539
PDB chain3v1r Chain A Residue 675 [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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PDB3v1r Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D524 E562 H638 R657
Binding residue
(residue number reindexed from 1)		D22 E60 H136 R155
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.68,IC50=21nM
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.-.-
3.1.26.4: ribonuclease H.
3.4.23.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004523 RNA-DNA hybrid ribonuclease activity

View graph for
Molecular Function
External links
PDB RCSB:3v1r, PDBe:3v1r, PDBj:3v1r
PDBsum3v1r
PubMed22366278
UniProtQ2F7J3|POL_XMRV3 Gag-Pol polyprotein (Gene Name=gag-pol)

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