Structure of PDB 8rvc Chain A Binding Site BS01

Receptor Information
>8rvc Chain A (length=340) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTGFETTLIKGIEPIRQFVLAISIYHLFDTKLFSLLIKHEVASPEVACNE
LGMEKEKLLGLFRYLKNEGILLETIDGFSLSKEGHALAPFEGWYVMLVGG
YATTFLQMGERLQEGAGWATRDATKVGVGSCGISHFDAIPLTRSLMAQAP
GTCTKLLDLGCGNGRYLAEFCKALPQIQAWGAEPDRGGFEEAVDLIEKEG
LSHRVHISHSGAVEFLDSDFDFEPDFIVLGFVLHEILGQAGRPAVVNFLK
KIVHRFPAINLIIIEVDNQFDNAGAMRHGLALAYYNPYYLLHCFTNQLLV
QDADWLDIFAEAGLSLVTRETTSDQVDSTGLEIGYLLRRA
Ligand information
Ligand IDNWG
InChIInChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKeyARBHXJXXVVHMET-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(N)=NCCCC(=O)C(O)=O
ACDLabs 12.01C(=O)(C(O)=O)CCC\N=C(/N)N
OpenEye OEToolkits 2.0.7C(CC(=O)C(=O)O)CN=C(N)N
FormulaC6 H11 N3 O3
Name5-[(diaminomethylidene)amino]-2-oxopentanoic acid
ChEMBL
DrugBank
ZINCZINC000001529743
PDB chain8rvc Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8rvc Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Resolution1.969 Å
Binding residue
(original residue number in PDB)		Y131 F261 H264 Y314 Y318 Q327
Binding residue
(residue number reindexed from 1)		Y101 F231 H234 Y284 Y288 Q297
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:8rvc, PDBe:8rvc, PDBj:8rvc
PDBsum8rvc
PubMed38887142
UniProtD5FKJ3|MRSA_PSESY 2-ketoarginine methyltransferase (Gene Name=mrsA)

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