Structure of PDB 4pxd Chain A Binding Site BS01

Receptor Information

>4pxd Chain A (length=411) Species: 83333 (Escherichia coli K-12)

MITHFRQAIEETLPWLSSFGADPAGGMTRLLYSPEWLETQQQFKKRMAAS
GLETRFDEVGNLYGRLNGTEYPQEVVLSGSHIDTVVNGGNLDGQFGALAA
WLAIDWLKTQYGAPLRTVEVVAMAEAEGSRFPYVFWGSKNIFGLANPDDV
RNICDAKGNSFVDAMKACGFTLPNAPLTPRQDIKAFVELHIEQGCVLESN
GQSIGVVNAIVGQRRYTVTLNGESNHAGTTPMGYRRDTVYAFSRICHQSV
EKAKRMGDPLVLTFGKVEPRPNTVNVVPGKTTFTIDCRHTDAAVLRDFTQ
QLENDMRAICDEMDIGIDIDLWMDEEPVPMNKELVATLTELCEREKLNYR
VMHSGAGHDAQIFAPRVPTCMIFIPSINGISHNPAERTNITDLAEGVKTL
ALMLYQLAWQK

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: 4pxd Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pxd Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D92 E127 H382
• Binding residue (residue number reindexed from 1): D92 E127 H382
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.3.9: allantoate deiminase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0016813 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
• GO:0030145 manganese ion binding
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding
• GO:0047652 allantoate deiminase activity

Biological Process

• GO:0000256 allantoin catabolic process
• GO:0006144 purine nucleobase metabolic process
• GO:0009442 allantoin assimilation pathway

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4pxd, PDBe:4pxd, PDBj:4pxd
• PDBsum: 4pxd
• PubMed: 25020232
• UniProt: P77425|ALLC_ECOLI Allantoate amidohydrolase (Gene Name=allC)