Structure of PDB 1wuf Chain A Binding Site BS01

Receptor Information

>1wuf Chain A (length=371) Species: 272626 (Listeria innocua Clip11262)

HMYFQKARLIHAELPLLAPFKTSYGELKSKDFYIIELINEEGIHGYGELE
AFPLPDYTEETLSSAILIIKEQLLPLLAQRKIRKPEEIQELFSWIQGNEM
AKAAVELAVWDAFAKMEKRSLAKMIGATKESIKVGVSIGLQQNVETLLQL
VNQYVDQGYERVKLKIAPNKDIQFVEAVRKSFPKLSLMADANSAYNREDF
LLLKELDQYDLEMIEQPFGTKDFVDHAWLQKQLKTRICLDENIRSVKDVE
QAHSIGSCRAINLKLARVGGMSSALKIAEYCALNEILVWCGGMLEAGVGR
AHNIALAARNEFVFPGDISASNRFFAEDIVTPAFELNQGRLKVPTNEGIG
VTLDLKVLKKYTKSTEEILLN

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: 1wuf Chain A Residue 5001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wuf Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): E1214 D1239 E1240
• Binding residue (residue number reindexed from 1): E215 D240 E241
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): F1019 L1053 K1162 K1164 D1189 E1214 D1239 K1263 G1290 D1316 I1317
• Catalytic site (residue number reindexed from 1): F20 L54 K163 K165 D190 E215 D240 K264 G291 D317 I318
• Enzyme Commision number: 4.2.1.113: o-succinylbenzoate synthase.
  5.1.1.-

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0016853 isomerase activity
• GO:0043748 O-succinylbenzoate synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009234 menaquinone biosynthetic process

External links

• PDB: RCSB:1wuf, PDBe:1wuf, PDBj:1wuf
• PDBsum: 1wuf
• PubMed: 24872444
• UniProt: Q927X3|MENC_LISIN o-succinylbenzoate synthase (Gene Name=menC)