Structure of PDB 2og9 Chain A Binding Site BS01

Receptor Information

>2og9 Chain A (length=363) Species: 296591 (Polaromonas sp. JS666)

PSDRITWVRISSCYLPLATPIMTEIAILFAEIETAGGHQGLGFSYSKRAG
GPGQFAHAREIAPALIGEDPSDIAKLWDKLCWAGASAGRSGLSTQAIGAF
DVALWDLKAKRAGLSLAKLLGSYRDSVRCYNTSGGFLHTPIDQLMVNASA
SIERGIGGIKLKVGQPDGALDIARVTAVRKHLGDAVPLMVDANQQWDRPT
AQRMCRIFEPFNLVWIEEPLDAYDHEGHAALALQFDTPIATGEMLTSAAE
HGDLIRHRAADYLMPDAPRVGGITPFLKIASLAEHAGLMLAPHFAMELHV
HLAAAYPREPWVEHFEWLEPLFNERIEIRDGRMLVPTRPGLGLTLSGQVK
AWTREEAQVGTRP

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: 2og9 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2og9 Crystal Structure of mandelate racemase/muconate lactonizing enzyme from Polaromonas sp. JS666
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): A254 F257
• Binding residue (residue number reindexed from 1): A232 F235
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S68 T154 K182 K184 D213 N215 E239 G264 E265 M286 D288 H315 F316 A317 E335
• Catalytic site (residue number reindexed from 1): S46 T132 K160 K162 D191 N193 E217 G242 E243 M264 D266 H293 F294 A295 E313
• Enzyme Commision number: 4.2.1.-
  4.2.1.42: galactarate dehydratase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008867 galactarate dehydratase activity
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding
• GO:1990594 L-altrarate dehydratase activity

Biological Process

• GO:0009063 amino acid catabolic process
• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:2og9, PDBe:2og9, PDBj:2og9
• PDBsum: 2og9
• UniProt: Q12GE3