Structure of PDB 4eac Chain C Binding Site BS01

Receptor Information

>4eac Chain C (length=396) Species: 83333 (Escherichia coli K-12)

SHMEQTWRWYGPNDPVSLADVRQAGATGVVTALHHIPNGEVWSVEEILKR
KAIIEDAGLVWSVVESVPIHEDIKTHTGNYEQWIANYQQTLRNLAQCGIR
TVCYNFMPVLDWTRTDLEYVLPDGSKALRFDQIEFAAFEMHILKRPGAEA
DYTEEEIAQAAERFATMSDEDKARLTRNIIAGLPGAEEGYTLDQFRKHLE
LYKDIDKAKLRENFAVFLKAIIPVAEEVGVRMAVHPDDPPRPILGLPRIV
STIEDMQWMVDTVNSMANGFTMCTGSYGVRADNDLVDMIKQFGPRIYFTH
LRSTMREDNPKTFHEAAHLNGDVDMYEVVKAIVEEEHRRKAEGKEDLIPM
RPDHGHQMLDDLKKKTNPGYSAIGRLKGLAEVRGVELAIQRAFFSR

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: 4eac Chain C Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4eac Structural insights into decreased enzymatic activity induced by an insert sequence in mannonate dehydratase from Gram negative bacterium.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H233 C271 H298 D351
• Binding residue (residue number reindexed from 1): H235 C273 H300 D353
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H233 C271 H298 D351 H352 Y368
• Catalytic site (residue number reindexed from 1): H235 C273 H300 D353 H354 Y370
• Enzyme Commision number: 4.2.1.8: mannonate dehydratase.

Gene Ontology

Molecular Function

• GO:0008198 ferrous iron binding
• GO:0008927 mannonate dehydratase activity
• GO:0016829 lyase activity
• GO:0030145 manganese ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006064 glucuronate catabolic process
• GO:0006974 DNA damage response
• GO:0042840 D-glucuronate catabolic process

External links

• PDB: RCSB:4eac, PDBe:4eac, PDBj:4eac
• PDBsum: 4eac
• PubMed: 22796868
• UniProt: P24215|UXUA_ECOLI Mannonate dehydratase (Gene Name=uxuA)