Structure of PDB 6wtf Chain A Binding Site BS04

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 IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain6wtf Chain A Residue 804 [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)		Y308 N331 E377 N527 Y529
Binding residue
(residue number reindexed from 1)		Y295 N318 E364 N503 Y505
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
View graph for
Cellular Component
External links
PDB RCSB:6wtf, PDBe:6wtf, PDBj:6wtf
PDBsum6wtf
PubMed33462497
UniProtE4N8S5

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