Structure of PDB 9fce Chain A Binding Site BS03

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 IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain9fce Chain A Residue 303 [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]
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)		P15 Q85
Binding residue
(residue number reindexed from 1)		P1 Q71
Annotation score1
External links