Structure of PDB 7ae4 Chain E Binding Site BS01

Receptor Information

>7ae4 Chain E (length=475) Species: 29345 (Sedimentibacter hydroxybenzoicus)

KVYKDLREFLEVLEQEGQLIRVKEEVNPEPDIAAAGRAAANLGKNQPAVF
FEKIKGYKYSVVTNVHGSWQNHALMLGLDKNTSTKDQFYELNRRWDKFPV
PPNVVKREAAPCKENVIDKDINLFEILPLYRINEQDGGFYISKASVVTAD
PEYPDDFNKLNVGTYRIQVKDRDRVGIQALAMHDIAVQLEKAEAENKPLP
IAITIGNNPLVTFMASTPVGYNQNEYEFVGALQDGVPMDIVKSDLYDHLY
VPAGSEVVLEGHIIPRVRTVEGPFGEFPGSYSGARLQCEVKIDRITHRTN
PIFENLYLGIPWTEIDYLMALNTSVPLYKQLKETMPEVVAVNAMYTHGIG
VIISTKVRYGGYAKGVAFRLLSTPHGMPYSKIVIVVDEFVDPFNLEQVMW
ALTTRVHPGKDVSIIENCPGMPLDPSTNPPGMHTKMIIDATTPVPPEPNP
RETQLLDPPDGTEEWEEKLKELLKN

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7ae4 Chain E Residue 508

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ae4 Domain mobility and allosteric activation of UbiD decarboxylases
• Resolution: 3.31 Å
• Binding residue (original residue number in PDB): N163 D186 E227
• Binding residue (residue number reindexed from 1): N161 D184 E225
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.1.61: 4-hydroxybenzoate decarboxylase.
  4.1.1.63: protocatechuate decarboxylase.

Gene Ontology

Molecular Function

• GO:0008694 3-octaprenyl-4-hydroxybenzoate carboxy-lyase activity
• GO:0016831 carboxy-lyase activity
• GO:0018799 4-hydroxybenzoate decarboxylase activity
• GO:0046872 metal ion binding
• GO:0050223 protocatechuate decarboxylase activity

Biological Process

• GO:0006744 ubiquinone biosynthetic process
• GO:0009056 catabolic process
• GO:0009636 response to toxic substance

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:7ae4, PDBe:7ae4, PDBj:7ae4
• PDBsum: 7ae4
• UniProt: Q9S4M7|YCLC_SEDHY Phenolic acid decarboxylase (Gene Name=shdC)