Structure of PDB 7qos Chain B Binding Site BS03

Receptor Information
>7qos Chain B (length=349) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIVERIVNKLNENQKEKIGVELPSGKRIPEFPVSHLIRFKTWKSLDYVLK
DPEMGFGEGYMNGDIEVEGDLEEVIKRGMTLFLGNDFYRLWLDKSMTYSC
AFFEDPSMSIDEAQSLKRRMIYEKLQLKEGDTLLDIGCGWGSIILESAEL
YNVKSVGITLSDNQYEYVKEEIKKRGLQDKVEVYKLHYVDLPKLGRKFNK
VVSVGMFEHVGKENYETFFNTVYRVMEEGGLFLLHTIGKLHPDTQSRWIR
KYIFPGGYLPSISEIVESFRDMDFTLIDFDNWRMHYYWTLKKWKERFYEN
LDKIRNMFDDRFIRMWELYLTASAVSFLIGSNYVFQTLLSKGVKDDYPV
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain7qos Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qos Advances in the Structural Biology, Mechanism, and Physiology of Cyclopropane Fatty Acid Modifications of Bacterial Membranes
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S136 C137 G242 E245 H272 T273 I274 Y323
Binding residue
(residue number reindexed from 1)		S99 C100 G205 E208 H235 T236 I237 Y286
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0008610 lipid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7qos, PDBe:7qos, PDBj:7qos
PDBsum7qos
PubMed
UniProtO67624

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