Structure of PDB 2z1d Chain B Binding Site BS01

Receptor Information

>2z1d Chain B (length=368) Species: 69014 (Thermococcus kodakarensis KOD1)

FEAYRSREVAMKLVEKIREEAKTLDGEIRIMHVCGTHEDTVTRHGIRSLL
PENVKVVSGPGCPVCITPVEDIVAMQLIMRKAREEGEEIILTTFGDMYKI
PTPMGSFADLKSEGFDVRIVYGIFDTYRIAKENPDKTVVHFSPGFETTTA
PAAGMLNVAAQEELENFKIYSVHRLTPPAVEVLLKQGTVFQGLIAPGHVS
TIIGVKGWEYLTEKYGIPQVVAGFEPNDVLMAILMLIRMYKEGEARIINE
YERAVKYEGNVVAQKMIDKFFEVVDAKWRALGVFPKSGLELRKEWKDFEI
RSFYKVEVPKNLPDLEKGCRCGAVLRGLALPTDCPLFGKTCTPRHPVGPC
MVSYEGTCQIFYKYGVLF

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: 2z1d Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2z1d Crystal Structures of [NiFe] Hydrogenase Maturation Proteins HypC, HypD, and HypE: Insights into Cyanation Reaction by Thiol Redox Signaling
• Resolution: 2.07 Å
• Binding residue (original residue number in PDB): C323 R324 C325 C338 L340 F341 C345 G352 C354 M355 C362
• Binding residue (residue number reindexed from 1): C319 R320 C321 C334 L336 F337 C341 G348 C350 M351 C358
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0005515 protein binding
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:0070025 carbon monoxide binding

Biological Process

• GO:0051604 protein maturation

External links

• PDB: RCSB:2z1d, PDBe:2z1d, PDBj:2z1d
• PDBsum: 2z1d
• PubMed: 17612488
• UniProt: Q5JII1