Structure of PDB 2wym Chain B Binding Site BS01

Receptor Information

>2wym Chain B (length=300) Species: 562 (Escherichia coli)

MSKVKSITRESWILSTFPEWGSWLNEEIEQEQVAPGTFAMWWLGCTGIWL
KSEGGTNVCVDFWCGTGKQSHGLQPNLRTTPFVLDPFAIRQIDAVLATHD
HNDHIDVNVAAAVMQNCADDVPFIGPKTCVDLWIGWGVPKERCIVVKPGD
VVKVKDIEIHALDAFDGMDDRAVNYLFKTPGGSLYHSGDSHYSNYYAKHG
NEHQIDVALGSYGENPRGITDKMTSADMLRMGEALNAKVVIPFHHDIWSN
FQADPQEIRVLWEMKKDRLKYGFKPFIWQVGGKFTWPLDKDNFEYHYPRG

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 2wym Chain B Residue 1338

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wym Molecular Architecture of the Mn(2+)Dependent Lactonase Ulag Reveals an Rnase-Like Metallo-Beta-Lactamase Fold and a Novel Quaternary Structure.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): D121 H122 D226 H281
• Binding residue (residue number reindexed from 1): D103 H104 D189 H244
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.-

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding
• GO:0035460 L-ascorbate 6-phosphate lactonase activity
• GO:0052689 carboxylic ester hydrolase activity

Biological Process

• GO:0019854 L-ascorbic acid catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2wym, PDBe:2wym, PDBj:2wym
• PDBsum: 2wym
• PubMed: 20359483
• UniProt: P39300|ULAG_ECOLI Probable L-ascorbate-6-phosphate lactonase UlaG (Gene Name=ulaG)