Structure of PDB 6z96 Chain B Binding Site BS01

Receptor Information
>6z96 Chain B (length=151) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEKIIVSACLLGQPVRYDGQSKGIVSNWLDALGAEGRALAFCPEVAGGLP
TPRPPAERQGEHVVTESGLDVTAEFDRGAELALGLCLAQGIRFALLKEGS
PSCGSGRIYNGRFEGVSMAGEGKTTALLRRHGIQVFSEDQLPELALALSL
V
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 chain6z96 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z96 Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Resolution1.327 Å
Binding residue
(original residue number in PDB)		S8 C10 V16 R17 C43 P44 E45 K98 S101 C104
Binding residue
(residue number reindexed from 1)		S7 C9 V15 R16 C42 P43 E44 K97 S100 C103
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:6z96, PDBe:6z96, PDBj:6z96
PDBsum6z96
PubMed32929873
UniProtA0A2H4Z949

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