Structure of PDB 6wte Chain B Binding Site BS01

Receptor Information
>6wte Chain B (length=530) Species: 452652 (Kitasatospora setae KM-6054) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSRLVLLVNPNKVHPPIAPYALDVLTTALEDEGFEVEVLDLTFRRDDWKT
CLHEYFAERSPMLVGVTVRNTDTVYAFEQRPFVGEHREIITEIRRLTDAP
VVGGGIGFSTMPFALVEYFGIEYGVKGPGEKILCELATAISEGRDTAGIP
GLIRNTERGAVRVPPPAEPTGQFEPRVWQVDQLSVYRRRSGVPRKVDNLE
YYRRGGLGSILTKNGCAYRCSHCVEPDAKGTRYGQRELASVVDEMESLAA
QGILDQHTTDSEFNLSIAHAKNLLREIVRRRHADPDNPLNRLRLWVYCQP
SPFDEEFADLLAAAGCRGVNVGSDHIRPELLSGWKVTEKGGTYYTFEDTE
RLVRLCRERGILTMVEALFGMPGETPETVRACVDAFMALDATVTGFSLGL
RLFPYTPMGIEIAEQCAGVRTAPGLQSNTADGPIVLKPLRMCASPAEYER
QFMFDEHGNFRLVCYFSPGLLWHGAVADLWALIDPADHHRVMLPTVNPFL
TSLGGLGYTGAFWSHWRGREEIMRKAREAA
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 chain6wte Chain B Residue 801 [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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PDB6wte Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		C227 Y229 C231 C234 P237 E273 Q310 Y354
Binding residue
(residue number reindexed from 1)		C216 Y218 C220 C223 P226 E262 Q299 Y343
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0031419 cobalamin binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6wte, PDBe:6wte, PDBj:6wte
PDBsum6wte
PubMed33462497
UniProtE4N8S5

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