Structure of PDB 9fce Chain A Binding Site BS02

Receptor Information
>9fce Chain A (length=208) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTTFDALRRQLIPSFDLIYEAAVRTVAATVPTAPRVLDLGAGTGLLSAAI
LRELPDSEVVLVDRSELMLTQARGRFVTVQTGDLTDPLPEGGFDAVVSGL
AIHHLSHTGKRDLFRRIREALRPGGVFVNVEQVQGPLPHLESLYDSQHEL
HVIREQAPAHEWAAGRERMKFDVCIDLETQLQWLRDAGFRSVDCLAKDFR
FATYAGWV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain9fce Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9fce Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H122 H123 D191
Binding residue
(residue number reindexed from 1)		H103 H104 D172
Annotation score4
External links