Structure of PDB 2ox4 Chain D Binding Site BS01

Receptor Information

>2ox4 Chain D (length=397) Species: 542 (Zymomonas mobilis)

SLKITKIEIFHVHTRPQSGQRPILVKVSTDEGIYGLGEAGIAYGVGGSAA
AGILKDYAALLIGEDPFNTEAIWEKLFKKTFWGQGGGTVIFSGISAFDIA
FWDIKGKALNLPVYKLLGGKNREDLRVYASQLQFGWGKERKSKGRKEEYA
EEALKAVAEGYDAVKVDVLAHDRNGSREGVFLEGPLPSETIKIGVERVEA
IRNAVGPDVDIIVENHGHTDLVSAIQFAKAIEEFNIFFYEEINTPLNPRL
LKEAKKKIDIPLASGERIYSRWGFLPFLEDRSIDVIQPDLGTCGGFTEFK
KIADMAHIFEVTVQAHVAGTGVAEAASLHAEIAIPNFCIHEHHQKTLLPE
YEELCVHNYQPVKGRYKVPELPGIGQDITEKLYQISDYVSIEAGHHH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2ox4 Chain D Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ox4 Crystal Structure of Putative Dehydratase from Zymomonas Mobilis Zm4
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E213 E239 E265
• Binding residue (residue number reindexed from 1): E214 E240 E266
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K164 D166 E213 H215 E239 G264 E265 Q286 D288 H315 E340
• Catalytic site (residue number reindexed from 1): K165 D167 E214 H216 E240 G265 E266 Q287 D289 H316 E341
• Enzyme Commision number: 5.1.2.2: mandelate racemase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:2ox4, PDBe:2ox4, PDBj:2ox4
• PDBsum: 2ox4
• UniProt: Q5NN22