Structure of PDB 6ktq Chain B Binding Site BS02

Receptor Information
>6ktq Chain B (length=398) Species: 330779 (Sulfolobus acidocaldarius DSM 639) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHHHHHHHHGGLVPRGSLHMKVGILDSTLREGEQTPGVVFTTDQRVEIAK
ALSDIGVQMIEAGHPAVSPDIYEGIRRIIKLKREGVIKSEIVAHSRAVKR
DIEVGAEIEADRIAIFYGISDTHLKAKHHTTRDEALRSIAETVSYAKSHG
VKVRFTAEDATRADYQYLLEVIKTVRDAGADRVSIADTVGVLYPSRTREL
FKDLTSRFPDIEFDIHAHNDLGMAVANVLAAAEGGATIIHTTLNGLGERV
GIAPLQVVAAALKYHFGIEVVDLKKLSEVASLVEKYSGIALPPNFPITGD
YAFVHKAGVHVAGVLNDPKTYEFLPPETFGRSRDYVIDKYTGKHAVKDRF
DRLGVKLTDSEIDQVLAKIKSNPNVRFYRDVDLLELAESVTGRLEHHH
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain6ktq Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ktq Involvement of subdomain II in the recognition of acetyl-CoA revealed by the crystal structure of homocitrate synthase from Sulfolobus acidocaldarius.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		R19 T145 S173 T177 H205 H207
Binding residue
(residue number reindexed from 1)		R30 T156 S184 T188 H216 H218
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.3.14: homocitrate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004410 homocitrate synthase activity
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:0019878 lysine biosynthetic process via aminoadipic acid

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Molecular Function
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Biological Process
External links
PDB RCSB:6ktq, PDBe:6ktq, PDBj:6ktq
PDBsum6ktq
PubMed32897601
UniProtQ4J989|HOSA_SULAC Homocitrate synthase (Gene Name=Saci_1304)

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