Structure of PDB 2vfu Chain A Binding Site BS02

Receptor Information
>2vfu Chain A (length=414) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITVTNWAGNITYTAKELLRPHSLDALRALVADSARVRVLGSGHSFNEIAE
PGDGGVLLSLAGLPSVVDVDTAARTVRVGGGVRYAELARVVHARGLALPN
MASLPHISVAGSVATGTHGSGVGNGSLASVVREVELVTADGSTVVIARGD
ERFGGAVTSLGALGVVTSLTLDLEPAYEMEQHVFTELPLAGLDPATFETV
MAAAYSVSLFTDWRAPGFRQVWLKRRTDRPLDGFPYAAPAAEKMHPVPGM
PAVNCTEQFGVPGPWHERLPHFRAEFTPSSGAELQSEYLMPREHALAALH
AMDAIRETLAPVLQTCEIRTVAADAQWLSPAYGRDTVAAHFTWVEDTAAV
LPVVRRLEEALVPFAARPHWGKVFTVPAGELRALYPRLADFGALAGALDP
AGKFTNAFVRGVLA
Ligand information
Ligand IDMTL
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-KVTDHHQDSA-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
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
FormulaC6 H14 O6
NameD-MANNITOL
ChEMBLCHEMBL689
DrugBankDB00742
ZINCZINC000002041302
PDB chain2vfu 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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PDB2vfu Structural Analysis of the Catalytic Mechanism and Stereoselectivity in Streptomyces Coelicolor Alditol Oxidase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S106 F275 E320 H343 T345 K375
Binding residue
(residue number reindexed from 1)		S103 F272 E317 H340 T342 K372
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:2vfu, PDBe:2vfu, PDBj:2vfu
PDBsum2vfu
PubMed18154360
UniProtQ9ZBU1|XYOA_STRCO Alditol oxidase (Gene Name=xyoA)

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