Structure of PDB 6wn6 Chain A Binding Site BS01

Receptor Information

>6wn6 Chain A (length=263) Species: 562 (Escherichia coli)

KMKIGTQNQAFFPENILEKFRYIKEMGFDGFEIDGKLLVNNIEEVKAAIK
ETGLPVTTACGGYDGWIGDFIEERRLNGLKQIERILEALAEVGGKGIVVP
AAWGMFTFRLPPMTSPRSLDGDRKMVSDSLRVLEQVAARTGTVVYLEPLN
RYQDHMINTLADARRYIVENDLKHVQIIGDFYHMNIEEDNLAQALHDNRD
LLGHVHIADNHRYQPGSGTLDFHALFEQLRADNYQGYVVYEGRIRAEDPA
QAYRDSLAWLRTC

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6wn6 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6wn6 Structure and Reaction Mechanism of YcjR, an Epimerase That Facilitates the Interconversion of d-Gulosides to d-Glucosides inEscherichia coli.
• Resolution: 1.86 Å
• Binding residue (original residue number in PDB): E149 D182 H208 E243
• Binding residue (residue number reindexed from 1): E147 D180 H206 E241
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): V177 L222 L227 F228
• Catalytic site (residue number reindexed from 1): V175 L220 L225 F226
• Enzyme Commision number: 5.1.3.-

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
• GO:0030145 manganese ion binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:6wn6, PDBe:6wn6, PDBj:6wn6
• PDBsum: 6wn6
• PubMed: 32437133
• UniProt: P76044|YCJR_ECOLI 3-dehydro-D-guloside 4-epimerase (Gene Name=ycjR)