Structure of PDB 6wtf Chain A Binding Site BS01

Receptor Information
>6wtf Chain A (length=542) Species: 452652 (Kitasatospora setae KM-6054) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLVLLVNPNKVHPPIAPYALDVLTTALEDEGFEVEVLDLTFRRDDWKTC
LHEYFAERSPMLVGVTVRNTDTVYAFEQRPFVGEHREIITEIRRLTDAPV
VGGGIGFSTMPFALVEYFGIEYGVKGPGEKILCELATAISEGRDTAGIPG
LIRNTERGAVRVPPAEPTGQFEPRVWQVDQLSVYRRRSGVPRKVDNLEYY
RRGGLGSILTKNGCAYRCSHCVEPDAKGTRYGQRELASVVDEMESLAAQG
ILDQHTTDSEFNLSIAHAKNLLREIVRRRHADPDNPLNRLRLWVYCQPSP
FDEEFADLLAAAGCRGVNVGSDHIRPELLSGWKVTEKGGTYYTFEDTERL
VRLCRERGILTMVEALFGMPGETPETVRACVDAFMALDATVTGFSLGLRL
FPYTPMGIEIAEQCAGVRTAPGLQSNTADGPIVLKPLRMCASPAEYERQF
MFDEHGNFRLVCYFSPGLLPWHGAVADLWALIDPADHHRVMLPTVEGMSE
HDNNYADNPFLTSLGGLGYTGAFWSHWRGREEIMRKAREAAA
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 chain6wtf Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wtf Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		C227 C231 H233 C234 E236 P237 E273 Q310
Binding residue
(residue number reindexed from 1)		C214 C218 H220 C221 E223 P224 E260 Q297
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:6wtf, PDBe:6wtf, PDBj:6wtf
PDBsum6wtf
PubMed33462497
UniProtE4N8S5

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