Structure of PDB 5ugr Chain A Binding Site BS01

Receptor Information

>5ugr Chain A (length=323) Species: 272630 (Methylorubrum extorquens AM1)

SFTLIQQATPRLHRSELAVPGSNPTFMEKSAASKADVIFLDLEDAVAPDD
KEQARKNIIQALNDLDWGNKTMMIRINGLDTHYMYRDVVDIVEACPRLDM
ILIPKVGVPADVYAIDVLTTQIEQAKKREKKIGFEVLIETALGMANVEAI
ATSSKRLEAMSFGVADYAASTRARSTVIGGVNADYSVLTDKDEAGNRQTH
WQDPWLFAQNRMLVACRAYGLRPIDGPFGDFSDPDGYTSAARRCAALGFE
GKWAIHPSQIDLANEVFTPSEAEVTKARRILEAMEEAAKAGRGAVSLDGR
LIDIASIRMAEALIQKADAMGGK

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: 5ugr Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ugr Structure of Methylobacterium extorquens malyl-CoA lyase: CoA-substrate binding correlates with domain shift.
• Resolution: 1.56 Å
• Binding residue (original residue number in PDB): D45 E140 D167
• Binding residue (residue number reindexed from 1): D44 E139 D166
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.3.24: malyl-CoA lyase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0016829 lyase activity
• GO:0043959 L-erythro-3-methylmalyl-CoA lyase activity
• GO:0046872 metal ion binding
• GO:0050083 malyl-CoA lyase activity

Biological Process

• GO:0006107 oxaloacetate metabolic process

External links

• PDB: RCSB:5ugr, PDBe:5ugr, PDBj:5ugr
• PDBsum: 5ugr
• PubMed: 28177317
• UniProt: C5B113