Structure of PDB 6wtf Chain B Binding Site BS03

Receptor Information
>6wtf Chain B (length=539) 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
LIRNTERGAVRVPPPTGQFEPRVWQVDQLSVYRRRSGVPRKVDNLEYYRR
GGLGSILTKNGCAYRCSHCVEPDAKGTRYGQRELASVVDEMESLAAQGIL
DQHTTDSEFNLSIAHAKNLLREIVRRRHADPDNPLNRLRLWVYCQPSPFD
EEFADLLAAAGCRGVNVGSDHIRPELLSGWKVTEKGGTYYTFEDTERLVR
LCRERGILTMVEALFGMPGETPETVRACVDAFMALDATVTGFSLGLRLFP
YTPMGIEIAEQCAGVRTAPGLQSNTADGPIVLKPLRMCASPAEYERQFMF
DEHGNFRLVCYFSPGLLPERWHGAVADLWALIDPADHHRVMLPTVEGMSE
HDNNYADNPFLTSLGGLGYTGAFWSHWRGREEIMRKARE
Ligand information
Ligand IDSA8
InChIInChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKeyJISVTSUBJCPLSV-TWBCTODHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC15 H23 N7 O5
NameS-5'-AZAMETHIONINE-5'-DEOXYADENOSINE;
5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE
ChEMBLCHEMBL1235825
DrugBankDB03458
ZINC
PDB chain6wtf Chain B Residue 803 [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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PDB6wtf Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		V74 H233 E236 S272 E273 D335 L411 R412
Binding residue
(residue number reindexed from 1)		V73 H218 E221 S257 E258 D320 L396 R397
Annotation score1
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
View graph for
Cellular Component
External links
PDB RCSB:6wtf, PDBe:6wtf, PDBj:6wtf
PDBsum6wtf
PubMed33462497
UniProtE4N8S5

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