Structure of PDB 7ouf Chain E Binding Site BS07

Receptor Information
>7ouf Chain E (length=278) Species: 33747 (Simian T-lymphotropic virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPAKLHSFTHCGQAALTLHGATTTEALNILHSCHACRKNNPQHQMPRGHI
RRGLLPNHIWQGDITHFKYKNTLYRLHVWVDTFSGSVSATHKKRETSSEA
ISSLLHAIAHLGRPSHINTDNGPAYASQEFQHACTSLAIRHTTHIPYNPT
SSGLVERTNGILKTLLYKYFSDNPNLPMDNALSVALWTINHLNVLTHCQK
TRWQLHHSPRLPPIPEEKPVTTSKTHWYYFKIPGLNSRQWKGPQRALQEA
AGAALIPVSDTAAQWIPWKLLKRAVCPR
Ligand information
Ligand ID1L0
InChIInChI=1S/C21H21F2N5O4/c1-27(2)16(29)6-3-11-7-14-18(24)17(21(31)28(32)19(14)25-9-11)20(30)26-10-12-4-5-13(22)8-15(12)23/h4-5,7-9,32H,3,6,10,24H2,1-2H3,(H,26,30)
InChIKeyBZKKUHPYPOFQBB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)C(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F
OpenEye OEToolkits 2.0.7CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O
FormulaC21 H21 F2 N5 O4
Name4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
ChEMBLCHEMBL4083673
DrugBank
ZINC
PDB chain7ouf Chain E Residue 304 [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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PDB7ouf Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D65 D122 Y149 P151 E158
Binding residue
(residue number reindexed from 1)		D63 D120 Y147 P149 E156
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008270 zinc ion binding
Biological Process
GO:0015074 DNA integration

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Molecular Function
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Biological Process
External links
PDB RCSB:7ouf, PDBe:7ouf, PDBj:7ouf
PDBsum7ouf
PubMed34404793
UniProtQ4QY51

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