Structure of PDB 3mwc Chain A Binding Site BS01

Receptor Information

>3mwc Chain A (length=388) Species: 521045 (Kosmotoga olearia TBF 19.5.1)

LTESARIDGVSLYEIVIPMKIPFQISSGTCYTRRSLVVEIREGDLFGYGE
SAPFEEPFYLGETLETTKVILKNHLLPMILGKEPLSIEEFNHLIKNGIRG
NHFARCGVENAYWDLIAKKNKISLKAMIEKKMKNLGVKQEYLASNNYIES
GAALGIPEDGRIETLIHQVEESLQEGYRRIKIKIKPGWDVEPLQETRRAV
GDHFPLWTDANSSFELDQWETFKAMDAAKCLFHEQPLHYEALLDLKELGE
RIETPICLDESLISSRVAEFVAKLGISNIWNIKIQRVGGLLEAIKIYKIA
TDNGIKLWGGTMPESGLGARFLISLASFRGFVFPADVAASEKWYGKGNDL
VENTMTDGKIYVPDEPGASFDMTLSHLEALGKKIWESQ

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: 3mwc Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mwc Crystal Structure of O-Succinylbenzoic Acid Synthetase from Kosmotoga Olearia
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D210 E235 D260
• Binding residue (residue number reindexed from 1): D209 E234 D259
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): F24 A154 K182 K184 D210 E235 D260 K284 T312 M313 D337
• Catalytic site (residue number reindexed from 1): F23 A153 K181 K183 D209 E234 D259 K283 T311 M312 D336
• Enzyme Commision number: 4.2.1.113: o-succinylbenzoate synthase.

Gene Ontology

Molecular Function

• 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:3mwc, PDBe:3mwc, PDBj:3mwc
• PDBsum: 3mwc
• UniProt: C5CFI0