Structure of PDB 1g64 Chain B Binding Site BS01

Receptor Information

>1g64 Chain B (length=190)

QQRQQKVKDRVDARVAQAQEERGIIIVFTGNGKGKTTAAFGTAARAVGHG
KNVGVVQFIKGTWPNGERNLLEPHGVEFQVMATGFTWETQNREADTAACM
AVWQHGKRMLADPLLDMVVLDELTYMVAYDYLPLEEVISALNARPGHQTV
IITGRGCHRDILDLADTVSELRPVKHAFDAGVKAQMGIDY

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: 1g64 Chain B Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1g64 Three-dimensional structure of ATP:corrinoid adenosyltransferase from Salmonella typhimurium in its free state, complexed with MgATP, or complexed with hydroxycobalamin and MgATP.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): T242 E328
• Binding residue (residue number reindexed from 1): T36 E122
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N237 K239 K241 T242 T243 F291 W293 E328
• Catalytic site (residue number reindexed from 1): N31 K33 K35 T36 T37 F85 W87 E122
• 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:1g64, PDBe:1g64, PDBj:1g64
• PDBsum: 1g64
• PubMed: 11148030
• UniProt: P31570|BTUR_SALTY Corrinoid adenosyltransferase CobA (Gene Name=btuR)