Structure of PDB 3oyc Chain A Binding Site BS06

Receptor Information
>3oyc Chain A (length=368) Species: 11963 (Human spumaretrovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDAELDQLLQGHYIKGYPKQYTYFLEDGKVKVSRPEGVKIIPPQSDRQKI
VLQAHNLAHTGREATLLKIANLYWWPNMRKDVVKQLGRCQQCLITNASNK
ASGPILRPDRPQKPFDKFFIDYIGPLPPSQGYLYVLVVVDGMTGFTWLYP
TKAPSTSATVKSLNVLTSIAIPKVIHSDQGAAFTSSTFAEWAKERGIHLE
FSTPYHPQSSGKVERKNSDIKRLLTKLLVGRPTKWYDLLPVVQLALNNTY
SPVLKYTPHQLLFGIDSNTPFANQDTLDLTREEELSLLQEIRTSLYHPST
PPASSRSWSPVVGQLVQERVARPASLRPRWHKPSTVLKVLNPRTVVILDH
LGNNRTVSIDNLKPTSHQ
Ligand information
Ligand IDZZW
InChIInChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
InChIKeyADHFMENDOUEJRK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO
CACTVS 3.370ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4ccccc24
ACDLabs 12.01Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
FormulaC19 H14 F N3 O2
Name9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000003818683
PDB chain3oyc Chain A Residue 398 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oyc Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Resolution2.66 Å
Binding residue
(original residue number in PDB)		D128 D185 P214 Q215 E221
Binding residue
(residue number reindexed from 1)		D121 D178 P207 Q208 E214
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.-.-
3.1.26.4: ribonuclease H.
3.4.23.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
Biological Process
GO:0015074 DNA integration

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Molecular Function
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Biological Process
External links
PDB RCSB:3oyc, PDBe:3oyc, PDBj:3oyc
PDBsum3oyc
PubMed21030679
UniProtP14350|POL_FOAMV Pro-Pol polyprotein (Gene Name=pol)

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