Structure of PDB 2vez Chain A Binding Site BS02

Receptor Information

>2vez Chain A (length=165)

ENTPLFSPSLISPDVLAVLPADYTIRPLCRSDYKRGYLDVLRVLTTVGDI
NEEQWNSRYEWIRARSDEYYLLVVCDGEGRIVGTGSLVVERKFIHSLGMV
GHIEDIAVEKGQQGKKLGLRIIQALDYVAEKVGCYKTILDCSEANEGFYI
KCGFKRAGLEMAHYY

Ligand information

• Ligand ID: G6P
• InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: NBSCHQHZLSJFNQ-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1O[C@H](CO[P](O)(O)=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)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-alpha-D-glucopyranose;
  ALPHA-D-GLUCOSE-6-PHOSPHATE;
  6-O-phosphono-alpha-D-glucose;
  6-O-phosphono-D-glucose;
  6-O-phosphono-glucose
• DrugBank: DB02007
• ZINC: ZINC000003875375
• PDB chain: 2vez Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vez Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): T70 E129 D130 D165
• Binding residue (residue number reindexed from 1): T45 E104 D105 D140
• Annotation score: 3
• Binding affinity: MOAD: Ki=2.6mM

Enzymatic activity

• Enzyme Commision number: 2.3.1.4: glucosamine-phosphate N-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0004343 glucosamine 6-phosphate N-acetyltransferase activity
• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

Biological Process

• GO:0006048 UDP-N-acetylglucosamine biosynthetic process

External links

• PDB: RCSB:2vez, PDBe:2vez, PDBj:2vez
• PDBsum: 2vez
• PubMed: 18005663
• UniProt: Q4WCU5