Structure of PDB 4hk7 Chain D Binding Site BS03

Receptor Information
>4hk7 Chain D (length=379) Species: 73501 (Cordyceps militaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVVVDIHTHMYPPSYIAMLEKRQTIPLVRTFPQADEPRLILLSSELAALD
AALADPAAKLPGRPLSTHFASLAQKMHFMDTNGIRVSVISLANPWFDFLA
PDEAPGIADAVNAEFSDMCAQHVGRLFFFAALPLSAPVDAVKASIERVKN
LKYCRGIILGTSGLGKGLDDPHLLPVFEAVADAKLLVFLHPHYGLPNEVY
GPRSEEYGHVLPLALGFPMETTIAVARMYMAGVFDHVRNLQMLLAHSGGT
LPFLAGRIESCIVHDGHLVKTGKVPKDRRTIWTVLKEQIYLDAVIYSEVG
LQAAIASSGADRLMFGTDHPFFPPIEEDVQGPWDSSRLNAQAVIKAVGEG
SSDAAAVMGLNAVRVLSLKAELEHHHHHH
Ligand information
Ligand IDURA
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC=CC(=O)N1
ACDLabs 10.04O=C1C=CNC(=O)N1
OpenEye OEToolkits 1.5.0C1=CNC(=O)NC1=O
FormulaC4 H4 N2 O2
NameURACIL
ChEMBLCHEMBL566
DrugBankDB03419
ZINCZINC000000895045
PDB chain4hk7 Chain D Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hk7 Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Resolution2.189 Å
Binding residue
(original residue number in PDB)		H14 R68 N98 H195 F222 D323 F326
Binding residue
(residue number reindexed from 1)		H9 R63 N93 H190 F217 D318 F321
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.1.66: uracil-5-carboxylate decarboxylase.
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:4hk7, PDBe:4hk7, PDBj:4hk7
PDBsum4hk7
PubMed23917530
UniProtG3J531

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