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Receptor Information

>8w09 Chain A (length=260) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAM
HGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYF
LLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGV
IESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERI
VDIIATDIQTKELQKQITKIQNFRVYYRGPAKLLWKGEGAVVIQDNSDIK
VVPRRKAKII

Ligand ID

DLU

InChI

InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

InChIKey

RHWKPHLQXYSBKR-BMIGLBTASA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.2	CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O
CACTVS 3.370	C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O
ACDLabs 12.01	Fc1ccc(c(F)c1)CNC(=O)C4=CN3C(C(=O)N2C(CCOC2C3)C)=C(O)C4=O
OpenEye OEToolkits 1.7.2	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O
CACTVS 3.370	C[CH]1CCO[CH]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O

Formula

C20 H19 F2 N3 O5

Name

(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide;
Dolutegravir

PDB chain

8w09 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8w09 HIV-1 integrase assembles multiple species of stable synaptic complex intasomes that are active for concerted DNA integration in vitro.
Resolution	3.2 Å
Binding residue (original residue number in PDB)	D64 D116 P145 Q146 E152
Binding residue (residue number reindexed from 1)	D64 D116 P145 Q146 E152
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003676	nucleic acid binding
GO:0008270	zinc ion binding

	Biological Process
GO:0015074	DNA integration

PDB	RCSB:8w09, PDBe:8w09, PDBj:8w09
PDBsum	8w09
PubMed	38582148
UniProt	P12497\|POL_HV1N5 Gag-Pol polyprotein (Gene Name=gag-pol)

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Structure of PDB 8w09 Chain A Binding Site BS08