Structure of PDB 3cb3 Chain C Binding Site BS01

Receptor Information

>3cb3 Chain C (length=357) Species: 296591 (Polaromonas sp. JS666)

SDRITWVRISSCYLPLMTEIAILFAEIETAGGHQGLGFSYSKRAGGPGQF
AHAREIAPALIGEDPSDIAKLWDKLCWAGASAGRSGLSTQAIGAFDVALW
DLKAKRAGLSLAKLLGSYRDSVRCYNTSGGFLHTPIDQLMVNASASIERG
IGGIKLKVGQPDGALDIARVTAVRKHLGDAVPLMVDANQQWDRPTAQRMC
RIFEPFNLVWIEEPLDAYDHEGHAALALQFDTPIATGEMLTSAAEHGDLI
RHRAADYLMPDAPRVGGITPFLKIASLAEHAGLMLAPHFAMELHVHLAAA
YPREPWVEHFEWLEPLFNERIEIRDGRMLVPTRPGLGLTLSGQVKAWTRE
EAQVGTR

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: 3cb3 Chain C Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cb3 Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D211 E237 E263
• Binding residue (residue number reindexed from 1): D186 E212 E238
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S66 T152 K180 K182 D211 N213 E237 G262 E263 M284 D286 H313 F314 A315 E333
• Catalytic site (residue number reindexed from 1): S41 T127 K155 K157 D186 N188 E212 G237 E238 M259 D261 H288 F289 A290 E308
• 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:3cb3, PDBe:3cb3, PDBj:3cb3
• PDBsum: 3cb3
• UniProt: Q12GE3