Structure of PDB 1fhv Chain A Binding Site BS01

Receptor Information

>1fhv Chain A (length=322) Species: 562 (Escherichia coli)

GSAMRSAQVYRWQIPMDAGVVLRDRRLKTRDGLYVCLREGREGWGEISPL
PGFSQETWEEAQSVLLAWVNNWLAGDCELPQMPSVAFGVSCALAELTDTL
PQAANYRAAPLCNGDPDDLILKLADMPGEKVAKVKVGLYEAVRDGMVVNL
LLEAIPDLHLRLDANRAWTPLKGQQFAKYVNPDYRDRIAFLEEPCKTRDD
SRAFARETGIAIAWDESLREPDFAFVAEEGVRAVVIKPTLTGSLEKVREQ
VQAAHALGLTAVISSSIESSLGLTQLARIAAWLTPDTIPGLDTLDLMQAQ
QVRRWPGSTLPVVEVDALERLL

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: 1fhv Chain A Residue 790

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1fhv Evolution of enzymatic activity in the enolase superfamily: structure of o-succinylbenzoate synthase from Escherichia coli in complex with Mg2+ and o-succinylbenzoate.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): D161 E190 D213
• Binding residue (residue number reindexed from 1): D163 E192 D215
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K133 D161 E190 D213 K235
• Catalytic site (residue number reindexed from 1): K135 D163 E192 D215 K237
• 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:1fhv, PDBe:1fhv, PDBj:1fhv
• PDBsum: 1fhv
• PubMed: 10978150
• UniProt: P29208|MENC_ECOLI o-succinylbenzoate synthase (Gene Name=menC)