Structure of PDB 6z92 Chain A Binding Site BS01

Receptor Information
>6z92 Chain A (length=150) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKIIVSACLLGQPVRYDGQSKGIVSNWLDALGAEGRALAFCPEVAGGLPT
PRPPAERQGEHVVTESGLDVTAEFDRGAELALGLCLAQGIRFALLKEGSP
SCGSGRIYNGRFEGVSMAGEGKTTALLRRHGIQVFSEDQLPELALALSLV
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6z92 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z92 Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Resolution2.067 Å
Binding residue
(original residue number in PDB)		S8 C10 V16 R17 C43 P44 E45 R54 K98 S101 C104
Binding residue
(residue number reindexed from 1)		S6 C8 V14 R15 C41 P42 E43 R52 K96 S99 C102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6z92, PDBe:6z92, PDBj:6z92
PDBsum6z92
PubMed32929873
UniProtA0A2H4Z949

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