Structure of PDB 3h70 Chain A Binding Site BS01

Receptor Information

>3h70 Chain A (length=342) Species: 1280 (Staphylococcus aureus)

SLKLTALHFYKYSEPFKSQIVTPKVTLTHRDCLFIELIDDKGNAYFGECN
AFQTDWYDHETIASVKHVIEQWFEDNRNKSFETYEAALKLVDSLENTPAA
RATIVMALYQMFHVLPSFSVAYGATASGLSNKQLESLKATKPTRIKLKWT
PQIMHQIRVLRELDFHFQLVIDANESLDRQDFTQLQLLAREQVLYIEEPF
KDISMLDEVADGTIPPIALDEKATSLLDIINLIELYNVKVVVLKPFRLGG
IDKVQTAIDTLKSHGAKVVIGGMYEYGLSRYFTAMLARKGDYPGDVTPAG
YYFEQDVVAHSGILKEGRLEFRPPLVDITQLQPYEGHHHHHH

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: 3h70 Chain A Residue 342

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3h70 Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D171 E196 D219
• Binding residue (residue number reindexed from 1): D172 E197 D220
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K145 K147 D171 E196 D219 K243 G271
• Catalytic site (residue number reindexed from 1): K146 K148 D172 E197 D220 K244 G272
• Enzyme Commision number: 4.2.1.113: o-succinylbenzoate synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0043748 O-succinylbenzoate synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009234 menaquinone biosynthetic process

External links

• PDB: RCSB:3h70, PDBe:3h70, PDBj:3h70
• PDBsum: 3h70
• PubMed: 24872444
• UniProt: Q53635