Structure of PDB 7qbu Chain B Binding Site BS03

Receptor Information
>7qbu Chain B (length=407) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEVVVDVGGNPGVDCKGFCKYCYFKKVKDIQPLGCKYCLPFKKGCDYCTR
SSYSGFKSLQMVLEETANKLYFTSGEVKKFTVSGGGDLSCYPELKSLITF
LSQFNTPIHLGYTSGKGFSKPDDALFYIDNGVTEVSFTVFATDPALRAEY
MKDPEPEASIQVLRDFCTHCEVYGAIVLLPGINDGEVLEKTLCDLENMGA
KGAILMRFANFQENGLILNNSPIIPGITPHTVSEFTEIVRSSAEKHPSIR
ITGTPLEDPLIGSPFAIRNVPEALLKLPRVSKKATIITGQVAASRLTEIF
EALGGTVNVIPVKKDIGCLITIDDFKALDLSEVTETVFIPGRAFVHDMEI
KEALRRDGVDRIVRRGPERLSVDGEMSIGMTREEVLELEVENFTELIGQI
NSLGLPL
Ligand information
Ligand IDMTA
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC11 H15 N5 O3 S
Name5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBLCHEMBL277041
DrugBankDB02282
ZINCZINC000004228245
PDB chain7qbu Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qbu Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Resolution2.298 Å
Binding residue
(original residue number in PDB)		Y21 C22 Y23 Y115 V180 M209 F211 A212
Binding residue
(residue number reindexed from 1)		Y21 C22 Y23 Y112 V177 M206 F208 A209
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.379: [methyl coenzyme M reductase]-L-arginine C-5-methyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008168 methyltransferase activity
GO:0035244 protein-arginine C-methyltransferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0032259 methylation
GO:0043687 post-translational protein modification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qbu, PDBe:7qbu, PDBj:7qbu
PDBsum7qbu
PubMed35110733
UniProtQ8THG6|MCRAM_METAC [Methyl coenzyme M reductase]-L-arginine C-5-methyltransferase (Gene Name=MA_4551)

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