Structure of PDB 4hk6 Chain D Binding Site BS01

Receptor Information

>4hk6 Chain D (length=369) Species: 73501 (Cordyceps militaris)

PVVVDIHTHMYPPSYIAMLEKRQTIPLVRTFPQADEPRLILLSSELAALD
AALADPAAKLPGRPLSTHFASLAQKMHFMDTNGIRVSVISLANPWFDFLA
PDEAPGIADAVNAEFSDMCAQHVGRLFFFAALPLSAPVDAVKASIERVKN
LKYCRGIILGTSGLGKGLDDPHLLPVFEAVADAKLLVFLHPHYGLPNEVY
GPRSEEYGHVLPLALGFPMETTIAVARMYMAGVFDHVRNLQMLLAHSGGT
LPFLAGRIESCIVHDGHLVKTGKVPKDRRTIWTVLKEQIYLDAVIYSEVG
LQAAIASSGADRLMFGTDHPFFPPIEEDVQGPWDSSRLNAQAVIKAVGEG
SSDAAAVMGLNAVRVLSLK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4hk6 Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hk6 Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H12 H14 H195 D323
• Binding residue (residue number reindexed from 1): H7 H9 H190 D318
• Annotation score: 1

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

External links

• PDB: RCSB:4hk6, PDBe:4hk6, PDBj:4hk6
• PDBsum: 4hk6
• PubMed: 23917530
• UniProt: G3J531