Structure of PDB 9fcl Chain A Binding Site BS02

Receptor Information
>9fcl Chain A (length=212) Species: 58350 (Kitasatospora cystarginea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRE
RLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVV
SALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQ
HEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAK
DWRFATYAGWNG
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 chain9fcl Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9fcl Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H122 H123 D191
Binding residue
(residue number reindexed from 1)		H106 H107 D175
Annotation score4
External links