Structure of PDB 4lal Chain B Binding Site BS02

Receptor Information
>4lal Chain B (length=369) Species: 983644 (Cordyceps militaris CM01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVVVDIHTHMYPPSYIAMLEKRQTIPLVRTFPQADEPRLILLSSELAALD
AALDPAAKLPGRPLSTHFASLAQKMHFMDTNGIRVSVISLANPWFDFLAP
DEAPGIADAVNAEFSDMCAQHVGRLFFFAALPLSAPVDAVKASIERVKNL
KYCRGIILGTSGLGKGLDDPHLLPVFEAVADAKLLVFLHPHYGLPNEVYG
PRSEEYGHVLPLALGFPMETTIAVARMYMAGVFDHVRNLQMLLAHSGGTL
PFLAGRIESCIVHDGHLVKTGKVPKDRRTIWTVLKEQIYLDAVIYSEVGL
QAAIASSGADRLMFGTAHPFFPPIEEDVQGPWDSSRLNAQAVIKAVGEGS
SDAAAVMGLNAVRVLSLKA
Ligand information
Ligand ID5CU
InChIInChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKeyZXYAAVBXHKCJJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1C(C(=O)O)=CNC(=O)N1
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1)C(=O)O
CACTVS 3.385OC(=O)C1=CNC(=O)NC1=O
FormulaC5 H4 N2 O4
Name2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
ChEMBLCHEMBL1213478
DrugBank
ZINCZINC000000901606
PDB chain4lal Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lal Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H14 R68 N98 H195 F222 H251 F326
Binding residue
(residue number reindexed from 1)		H9 R62 N92 H189 F216 H245 F320
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0019748 secondary metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:4lal, PDBe:4lal, PDBj:4lal
PDBsum4lal
PubMed23917530
UniProtG3J531

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