Structure of PDB 5o4m Chain C Binding Site BS03
Receptor Information
>5o4m Chain C (length=263) Species:
267377
(Methanococcus maripaludis S2) [
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NYGITESVKTTRSKIKIKDIVSDVVEKKANAIKYFLEGEEFKQAIVFGAY
LSGSYIAYSLLKDCEEVIIVDIQPHLKDILFNDGIKFMDLNKLQLELRNG
TSINPDLVIDLTGIGGVSPDLISKFNPKVLIVEDPKGNHDKGISKIDNTD
KRLCVGAKKGVLKTYRSSKFSKTSGTMTLVVDIIMDSCREINELDSVLYT
IPNLKYFEGTVFHEKNVKKFLTELNMSAITVSSIDHVEYELEEILSKNIS
RVDSFVKEFDKLA
Ligand information
Ligand ID
9KH
InChI
InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)
InChIKey
MGGXBHMHJPCYSF-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.6
Cc1c(cc(nc1CC(=O)O)O)O
CACTVS 3.385
Cc1c(O)cc(O)nc1CC(O)=O
Formula
C8 H9 N O4
Name
6-carboxy methyl-4-hydroxy-2-pyridinol
ChEMBL
DrugBank
ZINC
PDB chain
5o4m Chain D Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
5o4m
A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
I5 L199
Binding residue
(residue number reindexed from 1)
I4 L198
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5o4m
,
PDBe:5o4m
,
PDBj:5o4m
PDBsum
5o4m
PubMed
28682478
UniProt
Q6LX54
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