Structure of PDB 2wsb Chain D Binding Site BS03

Receptor Information
>2wsb Chain D (length=254) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYRTVFRLDGACAAVTGAGSGIGLEICRAFAASGARLILIDREAAALDR
AAQELGAAVAARIVADVTDAEAMTAAAAEAEAVAPVSILVNSAGIARLHD
ALETDDATWRQVMAVNVDGMFWASRAFGRAMVARGAGAIVNLGSMSGTIV
NRPQFASSYMASKGAVHQLTRALAAEWAGRGVRVNALAPGYVATEMTLKM
RERPELFETWLDMTPMGRCGEPSEIAAAALFLASPAASYVTGAILAVDGG
YTVW
Ligand information
Ligand IDPOL
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCO
ACDLabs 10.04OCCC
FormulaC3 H8 O
NameN-PROPANOL;
1-PROPONOL
ChEMBLCHEMBL14687
DrugBankDB03175
ZINCZINC000000895969
PDB chain2wsb Chain D Residue 1256 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2wsb Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		S144 N151 Y159
Binding residue
(residue number reindexed from 1)		S144 N151 Y159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G22 S144 Y159 K163
Catalytic site (residue number reindexed from 1) G22 S144 Y159 K163
Enzyme Commision number 1.1.1.406: galactitol 2-dehydrogenase (L-tagatose-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2wsb, PDBe:2wsb, PDBj:2wsb
PDBsum2wsb
PubMed20410293
UniProtC0KTJ6|GATDH_CERSP Galactitol 2-dehydrogenase (L-tagatose-forming)

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