Structure of PDB 5mma Chain A Binding Site BS06

Receptor Information
>5mma 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 IDVHT
InChIInChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)
InChIKeyDPDVGSIUVKMEDW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)CNC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncccc13
OpenEye OEToolkits 2.0.6COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F
FormulaC19 H16 F2 N4 O5
Namemethyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
ChEMBLCHEMBL3288829
DrugBank
ZINCZINC000169352017
PDB chain5mma Chain A Residue 417 [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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PDB5mma Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D128 D185 P214 E221
Binding residue
(residue number reindexed from 1)		D120 D177 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:5mma, PDBe:5mma, PDBj:5mma
PDBsum5mma
PubMed28737946
UniProtP14350|POL_FOAMV Pro-Pol polyprotein (Gene Name=pol)

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