Structure of PDB 2wdz Chain B Binding Site BS02

Receptor Information

>2wdz Chain B (length=254) Species: 1063 (Cereibacter sphaeroides)

MDYRTVFRLDGACAAVTGAGSGIGLEICRAFAASGARLILIDREAAALDR
AAQELGAAVAARIVADVTDAEAMTAAAAEAEAVAPVSILVNSAGIARLHD
ALETDDATWRQVMAVNVDGMFWASRAFGRAMVARGAGAIVNLGSMSGTIV
NRPQFASSYMASKGAVHQLTRALAAEWAGRGVRVNALAPGYVATEMTLKM
RERPELFETWLDMTPMGRCGEPSEIAAAALFLASPAASYVTGAILAVDGG
YTVW

Ligand information

• Ligand ID: 1SP
• InChI: InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
• InChIKey: WCVRQHFDJLLWFE-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.6.1: CCC[C@@H](CO)O
  ACDLabs 10.04: OCC(O)CCC
  CACTVS 3.352: CCC[C@H](O)CO
  OpenEye OEToolkits 1.6.1: CCCC(CO)O
  CACTVS 3.352: CCC[CH](O)CO
• Formula: C5 H12 O2
• Name: (2S)-pentane-1,2-diol
• ZINC: ZINC000000391844
• PDB chain: 2wdz Chain B Residue 258

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wdz Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): S144 S146 N151 Y159
• Binding residue (residue number reindexed from 1): S144 S146 N151 Y159
• Annotation score: 1

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

External links

• PDB: RCSB:2wdz, PDBe:2wdz, PDBj:2wdz
• PDBsum: 2wdz
• PubMed: 20410293
• UniProt: C0KTJ6|GATDH_CERSP Galactitol 2-dehydrogenase (L-tagatose-forming)