Structure of PDB 5frn Chain A Binding Site BS06

Receptor Information
>5frn Chain A (length=367) Species: 11963 (Human spumaretrovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAELDQLLQGHYIKGYPKQYTYFLEDGKVKVSRPEGVKIIPPQSDRQKIV
LQAHNLAHTGREATLLKIANLYWWPNMRKDVVKQLGRCQQCLITNASNKA
SGPILRPDRPQKPFDKFFIDYIGPLPPSQGYLYVLVVVDGMTGFTWLYPT
KAPSTSATVKSLNVLTSIAIPKVIHSDQGAAFTSSTFAEWAKERGIHLEF
STPYHPQSSGKVERKNSDIKRLLTKLLVGRPTKWYDLLPVVQLALNNTYS
PVLKYTPHQLLFGIDSNTPFANQDTLDLTREEELSLLQEIRTSLYHPSTP
PASSRSWSPVVGQLVQERVARPASLRPRWHKPSTVLKVLNPRTVVILDHL
GNNRTVSIDNLKPTSHQ
Ligand information
Ligand IDQUW
InChIInChI=1S/C21H22F2N4O4/c22-14-6-5-13(16(23)9-14)11-26-20(29)17-18(24)15-8-12(4-2-1-3-7-28)10-25-19(15)27(31)21(17)30/h5-6,8-10,28,31H,1-4,7,11,24H2,(H,26,29)
InChIKeyKDSNFIUIIYYHGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N
CACTVS 3.385NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CCCCCO)cc13
FormulaC21 H22 F2 N4 O4
Name4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide
ChEMBLCHEMBL4101122
DrugBank
ZINCZINC000263620641
PDB chain5frn Chain D Residue 1018 [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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PDB5frn HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		D128 D185 Q186 P211 Y212 P214 E221
Binding residue
(residue number reindexed from 1)		D120 D177 Q178 P203 Y204 P206 E213
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:5frn, PDBe:5frn, PDBj:5frn
PDBsum5frn
PubMed26808478
UniProtP14350|POL_FOAMV Pro-Pol polyprotein (Gene Name=pol)

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