Structure of PDB 2dtx Chain B Binding Site BS01

Receptor Information

>2dtx Chain B (length=255) Species: 2303 (Thermoplasma acidophilum)

GFSDLRDKVVIVTGASMGIGRAIAERFVDEGSKVIDLSIHDPGEAKYDHI
ECDVTNPDQVKASIDHIFKEYGSISVLVNNAGIESYGKIESMSMGEWRRI
IDVNLFGYYYASKFAIPYMIRSRDPSIVNISSVQASIITKNASAYVTSKH
AVIGLTKSIALDYAPLLRCNAVCPATIDTPLVRKAAELEVGSDPMRIEKK
ISEWGHEHPMQRIGKPQEVASAVAFLASREASFITGTCLYVDGGLSIRAP
ISTPE

Ligand information

• Ligand ID: BMA
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-RWOPYEJCSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 2dtx Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dtx Structural Insights into Unique Substrate Selectivity of Thermoplasma acidophilumd-Aldohexose Dehydrogenase
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): S132 Q134 Y145 A175 T176
• Binding residue (residue number reindexed from 1): S132 Q134 Y145 A175 T176
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): G18 S132 Y145 S148 K149
• Catalytic site (residue number reindexed from 1): G18 S132 Y145 S148 K149
• Enzyme Commision number: 1.1.1.118: glucose 1-dehydrogenase (NAD(+)).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:2dtx, PDBe:2dtx, PDBj:2dtx
• PDBsum: 2dtx
• PubMed: 17300803
• UniProt: Q9HK51