Structure of PDB 4hut Chain A Binding Site BS01

Receptor Information

>4hut Chain A (length=191) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)

YQQRQQKVKDRVDARVAQAQEERGIIIVFTGNGKGKTTAAFGTAARAVGH
GKNVGVVQFIKGTWPNGERNLLEPHGVEFQVMATGFTWETQNREADTAAC
MAVWQHGKRMLADPLLDMVVLDELTYMVAYDYLPLEEVISALNARPGHQT
VIITGRGCHRDILDLADTVSELRPVKHAFDAGVKAQMGIDY

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: 4hut Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hut Structural Insights into the Mechanism of Four-Coordinate Cob(II)alamin Formation in the Active Site of the Salmonella enterica ATP:Co(I)rrinoid Adenosyltransferase Enzyme: Critical Role of Residues Phe91 and Trp93.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): T42 E128
• Binding residue (residue number reindexed from 1): T37 E123
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N37 K39 K41 T42 T43 R51 F91 W93 E128
• Catalytic site (residue number reindexed from 1): N32 K34 K36 T37 T38 R46 F86 W88 E123
• Enzyme Commision number: 2.5.1.17: corrinoid adenosyltransferase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0008817 corrinoid adenosyltransferase activity
• GO:0016740 transferase activity

Biological Process

• GO:0006779 porphyrin-containing compound biosynthetic process
• GO:0009236 cobalamin biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4hut, PDBe:4hut, PDBj:4hut
• PDBsum: 4hut
• PubMed: 23148601
• UniProt: P31570|BTUR_SALTY Corrinoid adenosyltransferase CobA (Gene Name=btuR)