Structure of PDB 4pxb Chain B Binding Site BS01

Receptor Information
>4pxb Chain B (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)		H290 N340
Binding residue
(residue number reindexed from 1)		H237 N287
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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