Structure of PDB 8rvs Chain B Binding Site BS02

Receptor Information
>8rvs Chain B (length=341) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENTGFETTLIKGIEPIRQFVLAISIYHLFDTKLFSLLIKHEVASPEVACN
ELGMEKEKLLGLFRYLKNEGILLETIDGFSLSKEGHALAPFEGWYVMLVG
GYATTFLQMGERLQEGAGWATRDATKVGVGSCGISHFDAIPLTRSLMAQA
PGTCTKLLDLGCGNGRYLAEFCKALPQIQAWGAEPDRGGFEEAVDLIEKE
GLSHRVHISHSGAVEFLDSDFDFEPDFIVLGFVLHEILGQAGRPAVVNFL
KKIVHRFPAINLIIIEVDNQFDNAGAMRHGLALAYYNPYYLLHCFTNQLL
VQDADWLDIFAEAGLSLVTRETTSDQVDSTGLEIGYLLRRA
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 chain8rvs Chain B Residue 1002 [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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PDB8rvs Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Resolution1.632 Å
Binding residue
(original residue number in PDB)		S160 S164 G190 Y196 E213 P214 G241 A242 G260 F261 V262 E265 Q269
Binding residue
(residue number reindexed from 1)		S131 S135 G161 Y167 E184 P185 G212 A213 G231 F232 V233 E236 Q240
Annotation score5
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8rvs, PDBe:8rvs, PDBj:8rvs
PDBsum8rvs
PubMed38887142
UniProtD5FKJ3|MRSA_PSESY 2-ketoarginine methyltransferase (Gene Name=mrsA)

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