Structure of PDB 5o4j Chain B Binding Site BS01

Receptor Information
>5o4j Chain B (length=261) Species: 267377 (Methanococcus maripaludis S2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYGITESVKTTRSKIKIKDIVSDVVEKKANAIKYFLEGEEFKQAIVFGA
YLSGSYIAYSLLKDCEEVIIVDIQPHLKDILFNDGIKFMDLNKLQLELRN
GTSINPDLVIDLTGIGGVSPDLISKFNPKVLIVEDPKGNHDKGISKIDNT
DKRLCVGAKKGVLKTYRSSKFSKTSGTMTLVVDIIMDSCREINELDSVLY
TIPNLKYFEGTVFHEKNVKKFLTELNMSAITVSSIDHVEYELEEILSKNI
SRVDSFVKEFD
Ligand information
Ligand IDPJL
InChIInChI=1S/C6H7NO4/c8-4-2-5(9)7-3-1-6(10)11/h2-4,8H,1H2,(H,10,11)/b4-2+,7-3+
InChIKeyFVWUPCWGBLBUEE-JKEDICHKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(/C=N/C(=O)/C=C/O)C(=O)O
CACTVS 3.385O\C=C\C(=O)N=CCC(O)=O
OpenEye OEToolkits 2.0.6C(C=NC(=O)C=CO)C(=O)O
CACTVS 3.385OC=CC(=O)N=CCC(O)=O
FormulaC6 H7 N O4
Name(3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid
ChEMBL
DrugBank
ZINC
PDB chain5o4j Chain A Residue 304 [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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PDB5o4j A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		I5 L199
Binding residue
(residue number reindexed from 1)		I5 L199
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links