Structure of PDB 4e2s Chain A Binding Site BS02

Receptor Information
>4e2s Chain A (length=258) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIYWKATNPTLSPSHLQDLPGFTRSVYKRDHALITPESHVYSPLPDWTNT
LGAYLITPATGSHFVMYLAKMKEMSSSGLPPQDIERLIFVVEGAVTLTNS
SSKKLTVDSYAYLPPNFHHSLDCVESATLVVFERRYEYLGSHTTELIVGS
TDKQPLLETPGEVFELRKLLPMSVAYDFNIHTMDFQPGEFLNVKEVHYNQ
HGLLLLEGQGIYRLGDNWYPVQAGDVIWMAPFVPQWYAALGKTRSRYLLY
KDVNRNPL
Ligand information
Ligand IDUGY
InChIInChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1
InChIKeyVTFWFHCECSOPSX-SFOWXEAESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(=O)O)(N)NC(=O)N
OpenEye OEToolkits 1.7.6[C@H](C(=O)O)(N)NC(=O)N
ACDLabs 12.01O=C(N)NC(N)C(=O)O
CACTVS 3.370N[C@@H](NC(N)=O)C(O)=O
CACTVS 3.370N[CH](NC(N)=O)C(O)=O
FormulaC3 H7 N3 O3
Name(2S)-amino(carbamoylamino)ethanoic acid;
(S)-2-ureidoglycine
ChEMBL
DrugBank
ZINC
PDB chain4e2s Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e2s Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
Resolution2.59 Å
Binding residue
(original residue number in PDB)		E235 H241 Q275 K291
Binding residue
(residue number reindexed from 1)		E195 H201 Q235 K251
Annotation score5
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4e2s, PDBe:4e2s, PDBj:4e2s
PDBsum4e2s
PubMed22493446
UniProtQ8GXV5|UGHY_ARATH (S)-ureidoglycine aminohydrolase (Gene Name=UGLYAH)

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