Structure of PDB 4e2s Chain O Binding Site BS01

Receptor Information

>4e2s Chain O (length=258) Species: 3702 (Arabidopsis thaliana)

PIYWKATNPTLSPSHLQDLPGFTRSVYKRDHALITPESHVYSPLPDWTNT
LGAYLITPATGSHFVMYLAKMKEMSSSGLPPQDIERLIFVVEGAVTLTNS
SSKKLTVDSYAYLPPNFHHSLDCVESATLVVFERRYEYLGSHTTELIVGS
TDKQPLLETPGEVFELRKLLPMSVAYDFNIHTMDFQPGEFLNVKEVHYNQ
HGLLLLEGQGIYRLGDNWYPVQAGDVIWMAPFVPQWYAALGKTRSRYLLY
KDVNRNPL

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: 4e2s Chain O Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4e2s Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
• Resolution: 2.59 Å
• Binding residue (original residue number in PDB): E235 H237 H241 Q275
• Binding residue (residue number reindexed from 1): E195 H197 H201 Q235
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.3.26: (S)-ureidoglycine aminohydrolase.

Gene Ontology

Molecular Function

• GO:0003700 DNA-binding transcription factor activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0071522 ureidoglycine aminohydrolase activity

Biological Process

• GO:0000256 allantoin catabolic process
• GO:0006144 purine nucleobase metabolic process
• GO:0006145 purine nucleobase catabolic process
• GO:0006355 regulation of DNA-templated transcription
• GO:0010136 ureide catabolic process

Cellular Component

• GO:0005783 endoplasmic reticulum
• GO:0005829 cytosol

External links

• PDB: RCSB:4e2s, PDBe:4e2s, PDBj:4e2s
• PDBsum: 4e2s
• PubMed: 22493446
• UniProt: Q8GXV5|UGHY_ARATH (S)-ureidoglycine aminohydrolase (Gene Name=UGLYAH)