Structure of PDB 4lcr Chain A Binding Site BS01

Receptor Information
>4lcr Chain A (length=485) Species: 99883 (Tetraodon nigroviridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGEILIKGGKVVNEDCSFFSDVHIRGGKIVEVGPDLRVPPGARVIDATDR
LVIPGGIDTHTHMELAFMGTRAVDDFHIGTKAALAGGTTMILDFVMTQKG
QSLLEAYDLWRKTADPKVCCDYSLHVAVTWWSDEVKDEMRTLAQERGVNS
FKMFMAYKGLFMLRDDELYAVFSHCKEVGAIAQVHAENGDLIAEGAKKML
SLGITGPEGHELCRPEAVEAEATQRAITIASAVNCPLYVVHVMSKSAADV
VSKARKDGRVVFGEPIAASLGTDGTNYWHKDWAHAAQYVMGPPLRPDPST
PGYLMDLLANDDLTLTGTDNCTFSRCQKALGKDDFTRIPNGVNGVEDRMS
VIWEKGVHSGKMDENRFVAVTSSNAAKIFNFYPQKGRIAKDSDADVVIWD
PKTTRKISAQTHHQAVDYNIFEGMECHGVPVVTVSRGRVVYEEGRLKVSP
GQGRFIHRQPFSEFVYKRIRQRDEVGKPAVVIREP
Ligand information
Ligand IDURP
InChIInChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCNC(=O)N
OpenEye OEToolkits 1.5.0C(CNC(=O)N)C(=O)O
CACTVS 3.341NC(=O)NCCC(O)=O
FormulaC4 H8 N2 O3
NameN-(AMINOCARBONYL)-BETA-ALANINE;
N-CARBAMYL-BETA-ALANINE;
BETA-UREIDOPROPIONATE
ChEMBLCHEMBL20962
DrugBank
ZINCZINC000082071923
PDB chain4lcr Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lcr Crystal structures of vertebrate dihydropyrimidinase and complexes from Tetraodon nigroviridis with lysine carbamylation: metal and structural requirements for post-translational modification and function.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H65 K155 Y160 H188 M293 G294 D322 N343 G344
Binding residue
(residue number reindexed from 1)		H62 K152 Y157 H185 M290 G291 D319 N340 G341
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004157 dihydropyrimidinase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Biological Process
GO:0006208 pyrimidine nucleobase catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lcr, PDBe:4lcr, PDBj:4lcr
PDBsum4lcr
PubMed24005677
UniProtQ4SMR4

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