Structure of PDB 2k4i Chain A Binding Site BS01

Receptor Information
>2k4i Chain A (length=134) Species: 11720 (Human immunodeficiency virus type 2 (ISOLATE ROD)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GARNSVLRGKKADELERIRLRPGGKKKYRLKHIVWAANKLDRFGLAESLL
ESKEGCQKILTVLDPMVPTGSENLKSLFNTVCVIWCIHAEEKVKDTEGAK
QIVRRHLVAETGTAEKMPSTSRPTAPSSEKGGNY
Ligand information
Ligand IDPBU
InChIInChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13+,14+,15-,16-,17-/m1/s1
InChIKeyDHAFWWKSHUBGAH-BXJBXBQISA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC
OpenEye OEToolkits 1.7.6CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC
ACDLabs 12.01O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCC
CACTVS 3.385CCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC
OpenEye OEToolkits 1.7.6CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC
FormulaC17 H33 O19 P3
Name(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE;
di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate;
di-C4-PIP2
ChEMBL
DrugBank
ZINCZINC000058638376
PDB chain2k4i Chain A Residue 300 [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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PDB2k4i Structure of the myristylated human immunodeficiency virus type 2 matrix protein and the role of phosphatidylinositol-(4,5)-bisphosphate in membrane targeting.
ResolutionN/A
Binding residue
(original residue number in PDB)		L21 R22 K27 H33 W36 S77 N80 T81
Binding residue
(residue number reindexed from 1)		L20 R21 K26 H32 W35 S76 N79 T80
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.84,Kd=143uM
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.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
3.4.23.47: HIV-2 retropepsin.
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity

View graph for
Molecular Function
External links
PDB RCSB:2k4i, PDBe:2k4i, PDBj:2k4i
PDBsum2k4i
PubMed18657545
UniProtP04584|POL_HV2RO Gag-Pol polyprotein (Gene Name=gag-pol)

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