Structure of PDB 2vft Chain A Binding Site BS02

Receptor Information
>2vft Chain A (length=415) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DITVTNWAGNITYTAKELLRPHSLDALRALVADSARVRVLGSGHSFNEIA
EPGDGGVLLSLAGLPSVVDVDTAARTVRVGGGVRYAELARVVHARGLALP
NMASLPHISVAGSVATGTHGSGVGNGSLASVVREVELVTADGSTVVIARG
DERFGGAVTSLGALGVVTSLTLDLEPAYEMEQHVFTELPLAGLDPATFET
VMAAAYSVSLFTDWRAPGFRQVWLKRRTDRPLDGFPYAAPAAEKMHPVPG
MPAVNCTEQFGVPGPWHERLPHFRAEFTPSSGAELQSEYLMPREHALAAL
HAMDAIRETLAPVLQTCEIRTVAADAQWLSPAYGRDTVAAHFTWVEDTAA
VLPVVRRLEEALVPFAARPHWGKVFTVPAGELRALYPRLADFGALAGALD
PAGKFTNAFVRGVLA
Ligand information
Ligand IDSOR
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyFBPFZTCFMRRESA-JGWLITMVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04OC(C(O)CO)C(O)C(O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O
FormulaC6 H14 O6
Namesorbitol;
D-sorbitol;
D-glucitol
ChEMBLCHEMBL1682
DrugBankDB01638
ZINCZINC000018279893
PDB chain2vft Chain A Residue 1419 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vft Structural Analysis of the Catalytic Mechanism and Stereoselectivity in Streptomyces Coelicolor Alditol Oxidase.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S106 E320 R322 H343 T345 K375
Binding residue
(residue number reindexed from 1)		S104 E318 R320 H341 T343 K373
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.3.41: alditol oxidase.
Gene Ontology
Molecular Function
GO:0003885 D-arabinono-1,4-lactone oxidase activity
GO:0016491 oxidoreductase activity
GO:0016899 oxidoreductase activity, acting on the CH-OH group of donors, oxygen as acceptor
GO:0050582 xylitol oxidase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
GO:0080049 L-gulono-1,4-lactone dehydrogenase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2vft, PDBe:2vft, PDBj:2vft
PDBsum2vft
PubMed18154360
UniProtQ9ZBU1|XYOA_STRCO Alditol oxidase (Gene Name=xyoA)

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