Structure of PDB 8y1j Chain B Binding Site BS01

Receptor Information
>8y1j Chain B (length=494) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEQYVKKILTSRVYDVAVETPLQPARQLSERLGNQVLLKREDLQPVFSFK
IRGAYNKVAQLTEEEKARGVIAASAGNHAQGLALAAKRQGIRAVIVMPKT
TPEIKVQAVRAHGAKAVLHGDAFPEALAHALKLVDEKGYTFVHPYDDPDT
IAGQGTVAMEILRQQPGRLDAIFVPVGGGGLVAGIAAYVKYLRPEIKVIG
VEPDESNCLQAAMAAGERVVLGQVGLFADGVAVAQIGQHTFDICKDHVDE
VITVSTDEICAAIKDIYDDTRSITEPAGALAVAGIKKYVERERAEGQTLV
AIDSGANVNFDRLRHVAERAELGERREAIIAVTIPERAFCEAVGKRQITE
FNYRYHEAHIFVGVQTHPENDPREALVAYLREKGFPVLDLTDNELAKLHI
RHMVGGHAVKVSDEMVFRFEFPERPGALFNFLTKLGGRWNISMFHYRNHG
AADGRVVAGLQVPEDERHLIPQTLEAIGYPYWDETANPAYQLFL
Ligand information
Ligand ID2KT
InChIInChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKeyTYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCC(=O)C(O)=O
ACDLabs 12.01O=C(C(=O)O)CC
OpenEye OEToolkits 1.7.0CCC(=O)C(=O)O
FormulaC4 H6 O3
Name2-KETOBUTYRIC ACID;
2-OXOBUTANOIC ACID
ChEMBLCHEMBL171246
DrugBankDB04553
ZINCZINC000001532540
PDB chain8y1j Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8y1j Structure and function of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase IlvA1 from Pseudomonas aeruginosa PAO1.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		X51 S75 H79
Binding residue
(residue number reindexed from 1)		X50 S74 H78
Annotation score5
Enzymatic activity
Enzyme Commision number 4.3.1.19: threonine ammonia-lyase.
Gene Ontology
Molecular Function
GO:0003941 L-serine ammonia-lyase activity
GO:0004794 threonine deaminase activity
GO:0016829 lyase activity
Biological Process
GO:0006565 L-serine catabolic process
GO:0006567 threonine catabolic process
GO:0009097 isoleucine biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8y1j, PDBe:8y1j, PDBj:8y1j
PDBsum8y1j
PubMed38417345
UniProtQ9I6G0

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