Structure of PDB 3ojc Chain A Binding Site BS01

Receptor Information

>3ojc Chain A (length=230) Species: 214092 (Yersinia pestis CO92)

MKILGLIGGMSWESTIPYYRMINQHVKAQLGGLHSAKIILYSVDFHEIEQ
LQAKGDWQTAAQLLSNAAISLKHAGAEVIVVCTNTMHKVADDIEAACGLP
LLHIADATAVQIKQQGIDKIGLLGTRYTMEQGFYRGRLTEKHGIEVITPD
DTDREAVNRIIYEELCLGIISETSRDAYRRVIKKLEAQGVQGIIFGCTEI
TLLVNAQDASVPVFDTTAIHASAAADYALQ

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3ojc Chain A Residue 232

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ojc Crystal structure of a putative Asp/Glu Racemase from Yersinia pestis
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): G125 T126 T129 G197 C198
• Binding residue (residue number reindexed from 1): G124 T125 T128 G196 C197
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S15 I49 T84 T86 T126 C167 C198
• Catalytic site (residue number reindexed from 1): S14 I48 T83 T85 T125 C166 C197
• Enzyme Commision number: 5.1.1.13: aspartate racemase.

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
• GO:0036361 racemase activity, acting on amino acids and derivatives
• GO:0046872 metal ion binding
• GO:0047661 amino-acid racemase activity

External links

• PDB: RCSB:3ojc, PDBe:3ojc, PDBj:3ojc
• PDBsum: 3ojc
• UniProt: A0A6B3V8A6