Structure of PDB 4djd Chain B Binding Site BS01

Receptor Information

>4djd Chain B (length=262) Species: 1525 (Moorella thermoacetica)

MLIIGERINGMFGDIKRAIQERDPAPVQEWARRQEEGGARALDLNVGPAV
QDKVSAMEWLVEVTQEVSNLTLCLDSTNIKAIEAGLKKCKNRAMINSTNA
EREKVEKLFPLAVEHGAALIGLTMNKTGIPKDSDTRLAFAMELVAAADEF
GLPMEDLYIDPLILPANVAQDHAPEVLKTLQQIKMLADPAPKTVLGLSNV
SQNCQNRPLINRTFLAMAMACGLDAAIADACDEALIETAATAEILLNQTV
YCDSFVKMFKTR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4djd Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4djd Visualizing molecular juggling within a B12-dependent methyltransferase complex.
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): G222 D224
• Binding residue (residue number reindexed from 1): G222 D224
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.258: 5-methyltetrahydrofolate:corrinoid/iron-sulfur protein Co-methyltransferase.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding
• GO:0005515 protein binding
• GO:0008168 methyltransferase activity
• GO:0008705 methionine synthase activity
• GO:0031419 cobalamin binding
• GO:0046872 metal ion binding
• GO:0102036 methyltetrahydrofolate:corrinoid/iron-sulfur protein methyltransferase activity

Biological Process

• GO:0009086 methionine biosynthetic process
• GO:0015977 carbon fixation
• GO:0032259 methylation
• GO:0042558 pteridine-containing compound metabolic process
• GO:0044237 cellular metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4djd, PDBe:4djd, PDBj:4djd
• PDBsum: 4djd
• PubMed: 22419154
• UniProt: Q46389|ACSE_MOOTH 5-methyltetrahydrofolate:corrinoid/iron-sulfur protein co-methyltransferase (Gene Name=acsE)