Structure of PDB 6r00 Chain A Binding Site BS02

Receptor Information
>6r00 Chain A (length=384) Species: 72120 (Omphalotus olearius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKAGSLTIVGTGIESIGQMTLQALSYIEAAAKVFYCVIDPATEAFILTKN
KNCVDLYQYYDNGKSRLNTYTQMSELMVREVRKGLDVVGVFYGHPGVFVN
PSHRALAIAKSEGYRARMLPGVSAEDCLFADLCIDPSNPGCLTYEASDFL
IRDRPVSIHSHLVLFQVGCVGIADFNFTGFDNNKFGVLVDRLEQEYGAEH
PVVHYIAAMMPHQDPVTDKYTVAQLREPEIAKRVGGVSTFYIPPKARKAS
NLDIIRRLELLPAGQVPDKKARIYPANQWEPDVPEVEPYRPSDQAAIAQL
ADHAPPEQYQPLATSKAMSDVMTKLALDPKALADYKADHRAFAQSVPDLT
PQERAALELGDSWAIRCAMKNMPSSLLDAARESG
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 chain6r00 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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PDB6r00 Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		Y98 G99 H100 V103 F104 S129 A130 F171 Q172 I212 A213 G242 V243 S244 T245
Binding residue
(residue number reindexed from 1)		Y92 G93 H94 V97 F98 S123 A124 F165 Q166 I206 A207 G236 V237 S238 T239
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
View graph for
Biological Process
External links
PDB RCSB:6r00, PDBe:6r00, PDBj:6r00
PDBsum6r00
PubMed32491837
UniProtA0A2R2JFI5|OPHMA_OMPOL Methyltransferase/ribosomally synthesized cyclic peptide omphalotin A precursor ophMA (Gene Name=ophMA)

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