Structure of PDB 7cqm Chain A Binding Site BS13

Receptor Information

>7cqm Chain A (length=200) Species: 224324 (Aquifex aeolicus VF5)

GSALFLVIFAYLLGSITFGEVIAKLKGVDLRNVGSGNVGATNVTRALGKK
YGVLVFFLDFLKGFIPALIAVKSFGIDSWVLTFTGLASVLGHMYPVFFGF
KGGKGVATALGVVFAVSPSVALFSFLVWLGIFLWKRYVSLASITATISAF
LFLFVAGYPVNVLFMAIVIGALIIYRHRENINRLLTGREHRFGTLEVLFQ

Ligand information

• Ligand ID: 79M
• InChI: InChI=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
• InChIKey: OWGMAJRKMYGYBQ-HJCTWCACSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
  ACDLabs 12.01: O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
  CACTVS 3.385: CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
  CACTVS 3.385: CCCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
  OpenEye OEToolkits 1.9.2: CCCCCCCCC=CCCCCCC(=O)OCC(CO)O
• Formula: C19 H36 O4
• Name: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate;
  [(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate
• ZINC: ZINC000098208566
• PDB chain: 7cqm Chain A Residue 321

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7cqm Selenourea for experimental phasing of membrane protein crystals grown in lipid cubic phase
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): P118 L122
• Binding residue (residue number reindexed from 1): P118 L122
• Annotation score: 1

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

External links

• PDB: RCSB:7cqm, PDBe:7cqm, PDBj:7cqm
• PDBsum: 7cqm
• UniProt: O66905|PLSY_AQUAE Glycerol-3-phosphate acyltransferase (Gene Name=plsY)