Structure of PDB 8kao Chain C Binding Site BS02
Receptor Information
>8kao Chain C (length=412) Species:
2287
(Saccharolobus solfataricus) [
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NLLVQQVKKLYKVGELLGLDSETIDVLSQPERVMQVKIQIRSSDGKLRTF
IGWRSQHNSALGPYKGGVRYGPNVTQDEVIALSMIMTWKNSLLLLPYGGG
KGGIRVDPKKLTLKELEDLSRKYVQLIHKYLGSDVDIPAPDINTNPQTMA
WFLDEYIKITGKVDFAVFTGKPSELGGIGVRLYSTGLGVATIARDAANKF
IGGIEGSRVIIQGFGNVGFFTAKFLSEMGAKIIGVSDIGGGVINENGIDV
NRALEVVQSTGSVVNYLEGKKVTNEELLISDCDILIPAAVENVINKFNAP
KVRAKLIVEGANGPLTADADEIMKQRGVIVIPDILANAGGVVGSYVEWAN
NRSGGIISDEEAKKLIVDRMINAFNTLYDFHKRKFADQDLRTVAMALAVD
RVVGAMKARGLL
Ligand information
Ligand ID
69O
InChI
InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
KDVFRMMRZOCFLS-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
CCCC(C(O)=O)=O
CACTVS 3.385
CCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.4
CCCC(=O)C(=O)O
Formula
C5 H8 O3
Name
2-oxopentanoic acid;
2-Ketopentanoic acid
ChEMBL
CHEMBL1162544
DrugBank
ZINC
ZINC000001532684
PDB chain
8kao Chain C Residue 502 [
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Receptor-Ligand Complex Structure
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PDB
8kao
Structure of glutamate dehydrogenase-69O
Resolution
2.55 Å
Binding residue
(original residue number in PDB)
G73 G74 M93 K96 K108 A146 N319 N344 V348 S351
Binding residue
(residue number reindexed from 1)
G66 G67 M86 K89 K101 A139 N312 N337 V341 S344
Annotation score
1
External links
PDB
RCSB:8kao
,
PDBe:8kao
,
PDBj:8kao
PDBsum
8kao
PubMed
UniProt
A0A0E3K1C8
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