Structure of PDB 7v0h Chain D Binding Site BS02

Receptor Information

>7v0h Chain D (length=247) Species: 216591 (Burkholderia cenocepacia J2315)

SKLAGKVAIVTGASKGIGAAIAKALADEGAAVVVNYASSKAGADAVVSAI
TEAGGRAVAVGGDVSKAADAQRIVDTAIETYGRLDVLVNNSGVYEFAPIE
AITEEHYRRQFDTNVFGVLLTTQAAVKHLGEGASIINISSVVTSITPPAS
AVYSGTKGAVDAITGVLALELGPRKIRVNAINPGMIVTEGTHSAGIIGSD
LEAQVLGQTPLGRLGEPNDIASVAVFLASDDARWMTGEHLVVSGGLN

Ligand information

• Ligand ID: OUO
• InChI: InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1
• InChIKey: XPQIPNORJZZYPV-SCSAIBSYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C(CC(=O)O)[C@H](CO)C(=O)O
  CACTVS 3.385: OC[C@@H](CCC(O)=O)C(O)=O
  ACDLabs 12.01: OC(=O)C(CCC(O)=O)CO
  OpenEye OEToolkits 2.0.7: C(CC(=O)O)C(CO)C(=O)O
  CACTVS 3.385: OC[CH](CCC(O)=O)C(O)=O
• Formula: C6 H10 O5
• Name: (2R)-2-(hydroxymethyl)pentanedioic acid
• ZINC: ZINC000013549583
• PDB chain: 7v0h Chain D Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7v0h Crystal Structure of Putative glucose 1-dehydrogenase from Burkholderia cenocepacia in complex with NADP and a potential reaction product
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): S141 Y154 I197
• Binding residue (residue number reindexed from 1): S140 Y153 I196
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.47: glucose 1-dehydrogenase [NAD(P)(+)].

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0047936 glucose 1-dehydrogenase [NAD(P)+] activity

External links

• PDB: RCSB:7v0h, PDBe:7v0h, PDBj:7v0h
• PDBsum: 7v0h
• UniProt: B4E6Z1