Structure of PDB 7cqm Chain B Binding Site BS09

Receptor Information
>7cqm Chain B (length=200) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSALFLVIFAYLLGSITFGEVIAKLKGVDLRNVGSGNVGATNVTRALGKK
YGVLVFFLDFLKGFIPALIAVKSFGIDSWVLTFTGLASVLGHMYPVFFGF
KGGKGVATALGVVFAVSPSVALFSFLVWLGIFLWKRYVSLASITATISAF
LFLFVAGYPVNVLFMAIVIGALIIYRHRENINRLLTGREHRFGTLEVLFQ
Ligand information
Ligand ID79M
InChIInChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1
InChIKeyOWGMAJRKMYGYBQ-HJCTWCACSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.9.2CCCCCCCCC=CCCCCCC(=O)OCC(CO)O
FormulaC19 H36 O4
Name(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate;
[(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate
ChEMBL
DrugBank
ZINCZINC000098208566
PDB chain7cqm Chain B Residue 315 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cqm Selenourea for experimental phasing of membrane protein crystals grown in lipid cubic phase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F56 V113 W128 V138 S142 A166 H177
Binding residue
(residue number reindexed from 1)		F56 V113 W128 V138 S142 A166 H177
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.275: acyl phosphate:glycerol-3-phosphate acyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0043772 acyl-phosphate glycerol-3-phosphate acyltransferase activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0008654 phospholipid biosynthetic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cqm, PDBe:7cqm, PDBj:7cqm
PDBsum7cqm
PubMed
UniProtO66905|PLSY_AQUAE Glycerol-3-phosphate acyltransferase (Gene Name=plsY)

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