Structure of PDB 4omf Chain B Binding Site BS01

Receptor Information

>4omf Chain B (length=280) Species: 79929 (Methanothermobacter marburgensis str. Marburg)

VLGTYKEIVSARSTDREIQKLAQDGGIVTGLLAYALDEGIIEGAVVAGPG
EEFWKPQPMVAMSSDELKAAAGTKYTFSPNVMMLKKAVRQYGIEKLGTVA
IPCQTMGIRKMQTYPFGVRFLADKIKLLVGIYCMENFPYTSLQTFICEKL
GVSMELVEKMDIGKGKFWVYTQDDVLTLPLKETHGYEQAGCKICKDYVAE
LADVSTGSVGSPDGWSTVITRTDAGDSIFKQAVEAGLFETKPIEEVKPGL
GLLEKLAAQKKEKAEKNIAARKEMGLPTPF

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 4omf Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4omf The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member.
• Resolution: 1.71 Å
• Binding residue (original residue number in PDB): I102 P103 C104 C134 M135 E136 C192 C195 K261
• Binding residue (residue number reindexed from 1): I101 P102 C103 C133 M134 E135 C191 C194 K260
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.12.98.1: coenzyme F420 hydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016151 nickel cation binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0050454 coenzyme F420 hydrogenase activity
• GO:0050660 flavin adenine dinucleotide binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:0052592 oxidoreductase activity, acting on CH or CH2 groups, with an iron-sulfur protein as acceptor

External links

• PDB: RCSB:4omf, PDBe:4omf, PDBj:4omf
• PDBsum: 4omf
• PubMed: 24887099
• UniProt: D9PYF6