Structure of PDB 7pd2 Chain A Binding Site BS01

Receptor Information

>7pd2 Chain A (length=367) Species: 401526 (Thermosinus carboxydivorans Nor1)

SGTFYDVIEDYRHFDFAAYFAKVTDSDVRRILRQDRLSALDFLTLLSPQA
EAYLEEMAQKAHRLTVQHFGRTMLLYTPLYLANYCVNQCVYCGFQLKNKL
ERKKLTLAEVEQEAQLIAATGLKHILILTGESRQHSPVSYIKDCVNILKK
YFSSISIEIYPLTQEEYAELIGAGVDGLTIYQEVYNEEVYAEMHPAGPKR
NYRFRLEAPERACQAGMRTVNIGALLGLNDWRQEAFFTGLHADYLQRRFP
DVEVSISPPRMRPHLGGFPPRVVVSDQNLVQYVLAFRLFMPRSGITLSTR
ENGRLRDAMVRLGVTKMSAGSCTAVGGRSDQEAVGQFQISDERTVAEVAA
MLYAQGYQPVYKDWQAL

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: 7pd2 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7pd2 L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.
• Resolution: 1.99 Å
• Binding residue (original residue number in PDB): C85 N87 C89 C92 F94 Q95 K199 Q336
• Binding residue (residue number reindexed from 1): C85 N87 C89 C92 F94 Q95 K199 Q336
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0005506 iron ion binding
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009228 thiamine biosynthetic process
• GO:0042364 water-soluble vitamin biosynthetic process
• GO:0044272 sulfur compound biosynthetic process

External links

• PDB: RCSB:7pd2, PDBe:7pd2, PDBj:7pd2
• PDBsum: 7pd2
• PubMed: 35477710
• UniProt: A1HPQ5