Structure of PDB 7qbs Chain A Binding Site BS04

Receptor Information
>7qbs Chain A (length=411) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEVVVDVGGNPGVDCKGFCKYCYFKKVKDIQPLGCKYCLPFKKGCDYCTR
SVKESYSGFKSLQMVLEETANKLYFTSGEVKKFTVSGGGDLSCYPELKSL
ITFLSQFNTPIHLGYTSGKGFSKPDDALFYIDNGVTEVSFTVFATDPALR
AEYMKDPEPEASIQVLRDFCTHCEVYGAIVLLPGINDGEVLEKTLCDLEN
MGAKGAILMRFANFQENGLILNNSPIIPGITPHTVSEFTEIVRSSAEKHP
SIRITGTPLEDPLIGSPFAIRNVPEALLKLPRVSKKATIITGQVAASRLT
EIFEALGGTVNVIPVKKDIGCLITIDDFKALDLSEVTETVFIPGRAFVHD
MEIKEALRRDGVDRIVRRGPERLSVDGEMSIGMTREEVLELEVENFTELI
GQINSLGLPLE
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain7qbs Chain A Residue 503 [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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PDB7qbs Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Resolution2.327 Å
Binding residue
(original residue number in PDB)		Y21 Y23 D90 Y115 T141 V180 F211 A212
Binding residue
(residue number reindexed from 1)		Y21 Y23 D90 Y115 T141 V180 F211 A212
Annotation score5
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:7qbs, PDBe:7qbs, PDBj:7qbs
PDBsum7qbs
PubMed35110733
UniProtQ8THG6|MCRAM_METAC [Methyl coenzyme M reductase]-L-arginine C-5-methyltransferase (Gene Name=MA_4551)

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