Structure of PDB 4rh0 Chain A Binding Site BS02

Receptor Information

>4rh0 Chain A (length=340) Species: 420246 (Geobacillus thermodenitrificans NG80-2)

KPFVPKLVYFEPEALSYPLGKELYEKFTQMGIKIRETTSHNQVRGIPGET
ELARYRNAKSTLVVGVRRTLKFDSCKPSAEYAIPLATGCMGHCHYCYLQT
TLGSKPYIRVYVNLDDIFAQAQKYINERAPEITRFEAAATSDIVGIDHLT
HSLKKAIEFIGATDYGRLRFVTKYEHVDHLLDARHNGKTRFRFSINSRYV
INHFEPGTSSFDGRLAAARKVAGAGYKLGFVVAPIYRHEGWERGYFELFQ
ELARQLEGMDLSDLTFELIQHRFTKPAKRVIEQRYPKTRLDLDETKRKYK
WGRYGIGKYVYRDEEAKELEDTMRRYIEQFFPGAYVQYFT

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: 4rh0 Chain A Residue 409

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4rh0 Rescuing DNA repair activity by rewiring the H-atom transfer pathway in the radical SAM enzyme, spore photoproduct lyase.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): C90 G92 C94 C97 K174
• Binding residue (residue number reindexed from 1): C89 G91 C93 C96 K173
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.99.14: spore photoproduct lyase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0003913 DNA photolyase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:1904047 S-adenosyl-L-methionine binding

Cellular Component

• GO:0042601 endospore-forming forespore

External links

• PDB: RCSB:4rh0, PDBe:4rh0, PDBj:4rh0
• PDBsum: 4rh0
• PubMed: 25285338
• UniProt: A4IQU1