Structure of PDB 5g0r Chain E Binding Site BS03

Receptor Information

>5g0r Chain E (length=442) Species: 145263 (Methanothermobacter marburgensis)

AKFEDKVDLYDDRGNLVEEQVPLEALSPLRNPAIKSIVQGIKRTVAVNLE
GIENALKTAKVGGPACKIMGRELDLDIVGNAESIAAAAKEMIQVTEDDDT
NVELLGGGKRALVQVPSARFDVAAEYSAAPLVTATAFVQAIINEFDVSMY
DANMVKAAVLGRYPQSVEYMGANIATMLDIPQKLEGPGYALRNIMVNHVV
AATLKNTLQAAALSTILEQTAMFEMGDAVGAFERMHLLGLAYQGMNADNL
VFDLVKANGKEGTVGSVIADLVERALEDGVIKVEKELTDYKVYGTDDLAM
WNAYAAAGLMAATMVNQGAARAAQGVSSTLLYYNDLIEFETGLPSVDFGK
VEGTAVGFSFFSHSIYGGGGPGIFNGNHIVTRHSKGFAIPCVAAAMALDA
GTQMFSPEATSGLIKEVFSQVDEFREPLKYVVEAAAEIKNEI

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: 5g0r Chain E Residue 1500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5g0r Mode of Action Uncovered for the Specific Reduction of Methane Emissions from Ruminants by the Small Molecule 3-Nitrooxypropanol.
• Resolution: 1.25 Å
• Binding residue (original residue number in PDB): D99 D100 T101
• Binding residue (residue number reindexed from 1): D98 D99 T100
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y367
• Catalytic site (residue number reindexed from 1): Y366
• Enzyme Commision number: 2.8.4.1: coenzyme-B sulfoethylthiotransferase.

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0050524 coenzyme-B sulfoethylthiotransferase activity

Biological Process

• GO:0015948 methanogenesis

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5g0r, PDBe:5g0r, PDBj:5g0r
• PDBsum: 5g0r
• PubMed: 27140643
• UniProt: P11560|MCRB_METTM Methyl-coenzyme M reductase I subunit beta (Gene Name=mcrB)