Structure of PDB 4e2s Chain D Binding Site BS02

Receptor Information
>4e2s Chain D (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 D 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)		M223 E235 H241 Q275 Y287
Binding residue
(residue number reindexed from 1)		M183 E195 H201 Q235 Y247
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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