Structure of PDB 4jyd Chain A Binding Site BS06

Receptor Information

>4jyd Chain A (length=347) Species: 243274 (Thermotoga maritima MSB8)

MTGREILEKLERREFTREVLKEALSINDRGFNEALFKLADEIRRKYVGDE
VHIRAIIEFSNVCRKNCLYCGLRRDNKNLKRYRMTPEEIVERARLAVQFG
AKTIVLQSGEDPYYMPDVISDIVKEIKKMGVAVTLSLGEWPREYYEKWKE
AGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKELGYETGAGSMV
GLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLANEKKGDFTLTL
KMVALTRILLPDSNIPATTAMGTIVPGGREITLRCGANVIMPNWTPSPYR
QLYQLYPGKICVFEKDTACIPCVMKMIELLGRKPGRDWGGRKRVFET

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 4jyd Chain A Residue 408

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jyd X-ray snapshots of possible intermediates in the time course of synthesis and degradation of protein-bound Fe4S4 clusters.
• Resolution: 1.71 Å
• Binding residue (original residue number in PDB): C311 C319
• Binding residue (residue number reindexed from 1): C311 C319
• 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): C63 C67 C70 V105 T134 G195 P266
• 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:4jyd, PDBe:4jyd, PDBj:4jyd
• PDBsum: 4jyd
• PubMed: 23596207
• UniProt: Q9X0Z6|HYDE_THEMA [FeFe] hydrogenase maturase subunit HydE (Gene Name=TM_1269)