Structure of PDB 4pxb Chain A Binding Site BS03

Receptor Information
>4pxb Chain A (length=423) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLASSLSVDAPGLQNQIDELSSFSDAPSPSVTRVLYTDKDVSARRYVKNL
MALAGLTVREDAVGNIFGKWDGLEPNLPAVATGSHIDAIPYSGKYDGVVG
VLGAIEAINVLKRSGFKPKRSLEIILFTSAEPTRFGISCLGSRLLAGSKE
LAEALKTTVVDGQNVSFIEAARSAGYAEDKDDDLSSVFLKKGSYFAFLEL
HIEQGPILEDEGLDIGVVTAIAAPASLKVEFEGNGGHAGAVLMPYRNDAG
LAAAELALAVEKHVLESESIDTVGTVGILELHPGAINSIPSKSHLEIDTR
DIDEARRNTVIKKIQESANTIAKKRKVKLSEFKIVNQDPPALSDKLVIKK
MAEAATELNLSHKMMISRAYHDSLFMARISPMGMIFIPCYKGYSHKPEEY
SSPEDMANGVKVLSLTLAKLSLD
Ligand information
Ligand IDUGC
InChIInChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
InChIKeyNWZYYCVIOKVTII-SFOWXEAESA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(O)NC(=O)N
CACTVS 3.385NC(=O)N[C@@H](O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(=O)O)(NC(=O)N)O
OpenEye OEToolkits 1.7.6[C@H](C(=O)O)(NC(=O)N)O
CACTVS 3.385NC(=O)N[CH](O)C(O)=O
FormulaC3 H6 N2 O4
Name(2S)-(carbamoylamino)(hydroxy)ethanoic acid;
(S)-Ureidoglycolate
ChEMBL
DrugBank
ZINCZINC000094437740
PDB chain4pxb Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pxb Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
Resolution1.903 Å
Binding residue
(original residue number in PDB)		E184 H254 Q257 R353 A422 Y423 H424 H448
Binding residue
(residue number reindexed from 1)		E131 H201 Q204 R300 A369 Y370 H371 H395
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.116: ureidoglycolate amidohydrolase.
Gene Ontology
Molecular Function
GO:0004848 ureidoglycolate hydrolase activity
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:0046872 metal ion binding
GO:0047652 allantoate deiminase activity
Biological Process
GO:0000256 allantoin catabolic process
GO:0006144 purine nucleobase metabolic process
GO:0006145 purine nucleobase catabolic process
GO:0010136 ureide catabolic process
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0009536 plastid

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pxb, PDBe:4pxb, PDBj:4pxb
PDBsum4pxb
PubMed25020232
UniProtQ8VXY9|UAH_ARATH Ureidoglycolate hydrolase (Gene Name=UAH)

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