Structure of PDB 7cqm Chain B Binding Site BS12

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 318 [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)		A171 I174 N182
Binding residue
(residue number reindexed from 1)		A171 I174 N182
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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