Structure of PDB 3iiz Chain A Binding Site BS01

Receptor Information

>3iiz Chain A (length=346) Species: 2336 (Thermotoga maritima)

TGREILEKLERREFTREVLKEALSINDRGFNEALFKLADEIRRKYVGDEV
HIRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIVERARLAVQFGA
KTIVLQSGEDPYYMPDVISDIVKEIKKMGVAVTLSLGEWPREYYEKWKEA
GADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKELGYETGAGSMVG
LPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLANEKKGDFTLTLK
MVALTRILLPDSNIPATTAMGTIVPGGREITLRCGANVIMPNWTPSPYRQ
LYQLYPGKICVFEKDTACIPCVMKMIELLGRKPGRDWGGRKRVFET

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: 3iiz Chain A Residue 2460

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3iiz Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins
• Resolution: 1.62 Å
• Binding residue (original residue number in PDB): C63 K65 C67 C70
• Binding residue (residue number reindexed from 1): C62 K64 C66 C69
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): C63 C67 C70 V105 T134 G195 P266
• Catalytic site (residue number reindexed from 1): C62 C66 C69 V104 T133 G194 P265
• Enzyme Commision number: 1.8.-.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016491 oxidoreductase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051537 2 iron, 2 sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

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

External links

• PDB: RCSB:3iiz, PDBe:3iiz, PDBj:3iiz
• PDBsum: 3iiz
• PubMed: 19706452
• UniProt: Q9X0Z6|HYDE_THEMA [FeFe] hydrogenase maturase subunit HydE (Gene Name=TM_1269)