Structure of PDB 6tsc Chain A Binding Site BS02

Receptor Information
>6tsc Chain A (length=369) Species: 72120 (Omphalotus olearius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAGSLTIVGTGIESIGQMTLQALSYIEAAAKVFYCVIDPATEAFILTKNK
NCVDLYQYYDNGKSRLNTYTQMSELMVREVRKGLDVVGVFYGHPGVFVNP
SHRALAIAKSEGYRARMLPGVSAEDCLFADLCIDPSNPGCLTYEASDFLI
RDRPVSIHSHLVLFQVGCVGIADFNFTGFDNNKFGVLVDRLEQEYGAEHP
VVHYIAAMMPHQDPVTDKYTVAQLREPEIAKRVGGVSTFYIPPKARKASN
LDIIRRLELRIYPANQWEPDVPEVEPYRPSDQAAIAQLADHAPPEQYQPL
ATSKAMSDVMTKLALDPKALADYKADHRAFAQSVPDLTPQERAALELGDS
WAIRCAMKNMPSSLLDAAR
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain6tsc 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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PDB6tsc Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		Y98 G99 H100 V103 F104 S129 A130 F171 Q172 Y211 I212 A213 G242 V243 S244 T245
Binding residue
(residue number reindexed from 1)		Y91 G92 H93 V96 F97 S122 A123 F164 Q165 Y204 I205 A206 G235 V236 S237 T238
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6tsc, PDBe:6tsc, PDBj:6tsc
PDBsum6tsc
PubMed32491837
UniProtA0A2R2JFI5|OPHMA_OMPOL Methyltransferase/ribosomally synthesized cyclic peptide omphalotin A precursor ophMA (Gene Name=ophMA)

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