Structure of PDB 6bqc Chain A Binding Site BS01

Receptor Information
>6bqc Chain A (length=348) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNWYRIANELLSRAGIAINGSAPADIRVKNPDFFKRVLQEGSLGLGESYM
DGWWECDRLDMFFSKVLRAGLENQLPHHFKDTLRIADLGNDLFSRMLDPF
MQYSCAYWKDADNLESAQQAKLKMICEKLQLKPGMRVLDIGCGWGGLAHY
MASNYDVSVVGVTISAEQQKMAQERCEGLDVTILLQDYRDLNDQFDRIVS
VGMFEHVGPKNYDTYFAVVDRNLKPEGIFLLHTIGSKKTDLNVDPWINKY
IFPNGCLPSVRQIAQSSEPHFVMEDWHNFGADYDTTLMAWYERFLAAWPE
IADNYSERFKRMFTYYLNACAGAFRARDIQLWQVVFSRGVENGLRVAR
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 chain6bqc Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bqc Structural and Functional Analysis of E. coli Cyclopropane Fatty Acid Synthase.
Resolution2.073 Å
Binding residue
(original residue number in PDB)		S138 C139 H266 Y317
Binding residue
(residue number reindexed from 1)		S104 C105 H232 Y283
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.79: cyclopropane-fatty-acyl-phospholipid synthase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008825 cyclopropane-fatty-acyl-phospholipid synthase activity
GO:0042803 protein homodimerization activity
GO:0071890 bicarbonate binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0008610 lipid biosynthetic process
GO:0030258 lipid modification
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0031234 extrinsic component of cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bqc, PDBe:6bqc, PDBj:6bqc
PDBsum6bqc
PubMed30057024
UniProtP0A9H7|CFA_ECOLI Cyclopropane-fatty-acyl-phospholipid synthase (Gene Name=cfa)

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