Structure of PDB 4u0p Chain B Binding Site BS02

Receptor Information

>4u0p Chain B (length=284) Species: 197221 (Thermosynechococcus vestitus BP-1)

RPLPSWLRKPLGKASEISTVQRLVRQYGIHTICEEGRCPNRGECYGQKTA
TFLLLGPTCTRACAFCQVEKGHAPAAVDPEEPTKIAAAVATLGLRYVVLT
SVARDDLPDQGAGQFVATMAAIRQRCPGTEIEVLSPDFRMDRGRLSQRDC
IAQIVAAQPACYNHNLETVRRLQGPVRRGATYESSLRVLATVKELNPDIP
TKSGLMLGLGETEAEIIETLKDLRRVGCDRLTLGQYLPPSLSHLPVVKYW
TPEEFNTLGNIARELGFSHVRSGPLVRSSYHAAE

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: 4u0p Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4u0p Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions.
• Resolution: 1.623 Å
• Binding residue (original residue number in PDB): C37 C42 N44 R45 C48 T55 S283 Y284
• Binding residue (residue number reindexed from 1): C33 C38 N40 R41 C44 T51 S279 Y280
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.8.1.8: lipoyl synthase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016740 transferase activity
• GO:0016992 lipoate synthase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009107 lipoate biosynthetic process
• GO:0009249 protein lipoylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4u0p, PDBe:4u0p, PDBj:4u0p
• PDBsum: 4u0p
• PubMed: 25100160
• UniProt: Q8DLC2|LIPA2_THEVB Lipoyl synthase 2 (Gene Name=lipA2)