Structure of PDB 6p78 Chain A Binding Site BS01

Receptor Information
>6p78 Chain A (length=230) Species: 428126 (Thomasclavelia spiroformis DSM 1552) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMERYSHILEKDKREIVLLKSRPCIWGKCSFCDYIEDNDVDQKENQKIND
EVLNKITGQYGVLEVINSGSFFELPDETIERIYKIIGEKKIKRLYIEAHY
LYKKKIKALREKFKIEIIVKTGIETFNDEMRNNVLNKNIHFDKIEEILED
FDSPCLMVGIQGQTKEMIRKDIEILTKYFDHGTINIYRNNSTPIKRDEEL
IKWFDEEYHDLKNNRKYDYLGIPTDFGVGD
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 chain6p78 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6p78 Discovery of novel bacterial queuine salvage enzymes and pathways in human pathogens.
Resolution1.726 Å
Binding residue
(original residue number in PDB)		C23 G26 C28 C31 I34 S67 G68 K136
Binding residue
(residue number reindexed from 1)		C24 G27 C29 C32 I35 S68 G69 K137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6p78, PDBe:6p78, PDBj:6p78
PDBsum6p78
PubMed31481610
UniProtB1C2R2

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