Structure of PDB 6wm2 Chain 0 Binding Site BS04

Receptor Information
>6wm2 Chain 0 (length=204) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTGLALLYSGVFVAFWACALAVGVCYTIFDLGFRFDVAWFLTETSPFMWS
NLGIGLAISLSVVGAAWGIYITGSSIIGGGVKAPRIKTKNLVSIIFCEAV
AIYGIIMAIVISNMAEPFSATDPKAIGHRNYHAGYSMFGAGLTVGLSNLF
CGVCVGIVGSGAALADAQNPSLFVKILIVEIFGSAIGLFGVIVAILQTSR
VKMG
Ligand information
Ligand IDWSS
InChIInChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1
InChIKeySNKAWJBJQDLSFF-TWROKUQOSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.385CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
FormulaC44 H85 N O8 P
Nametri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
ChEMBL
DrugBank
ZINCZINC000085546476
PDB chain6wm2 Chain 0 Residue 305 [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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PDB6wm2 Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G3 L6
Binding residue
(residue number reindexed from 1)		G3 L6
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015078 proton transmembrane transporter activity
GO:0046961 proton-transporting ATPase activity, rotational mechanism
Biological Process
GO:0007035 vacuolar acidification
GO:0007042 lysosomal lumen acidification
GO:0016241 regulation of macroautophagy
GO:0048388 endosomal lumen acidification
GO:0051452 intracellular pH reduction
GO:0061795 Golgi lumen acidification
GO:1902600 proton transmembrane transport
Cellular Component
GO:0000139 Golgi membrane
GO:0000220 vacuolar proton-transporting V-type ATPase, V0 domain
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0030665 clathrin-coated vesicle membrane
GO:0030670 phagocytic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0033176 proton-transporting V-type ATPase complex
GO:0033177 proton-transporting two-sector ATPase complex, proton-transporting domain
GO:0033179 proton-transporting V-type ATPase, V0 domain

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wm2, PDBe:6wm2, PDBj:6wm2
PDBsum6wm2
PubMed33065002
UniProtQ99437|VATO_HUMAN V-type proton ATPase 21 kDa proteolipid subunit c'' (Gene Name=ATP6V0B)

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