Structure of PDB 6ktq Chain B Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6ktq Chain B Residue 403 [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)		E20 H205 H207
Binding residue
(residue number reindexed from 1)		E31 H216 H218
Annotation score1
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
View graph for
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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