Structure of PDB 8ixm Chain A Binding Site BS02

Receptor Information
>8ixm Chain A (length=309) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRIGVIGTGAIGGFYGLMLAHAGHDVHFLLRSEFEAVNRAGLSLNSAVHG
FRRLAPVQAYHSAQDMPPCDWLLVGAKTTGNHELAPLIRAAAAPGAKVLL
LQNGLGVEERLRPLLPESLHLLGGLCFICVHRGEPGVIEHQAYGGVNLGY
HSGPADERRRREIVEEGAALFRESGLESTAMPDLEQARWQKLVWNIPYNG
LSVLLKSSTAPLMANADSRSLIEAIMEEVIGAAGACGFILPEGYADQLLA
ATERMPDYRPSMYHDFAHGRPLELAAIYAAPLARAAAAGYRMPRVEALHQ
ALRFLEAQP
Ligand information
Ligand IDCOI
InChIInChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyBKAJNAXTPSGJCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(C(=O)O)CC(C)C
OpenEye OEToolkits 1.7.6CC(C)CC(=O)C(=O)O
CACTVS 3.370CC(C)CC(=O)C(O)=O
FormulaC6 H10 O3
Name2-OXO-4-METHYLPENTANOIC ACID;
alpha-ketoisocaproic acid
ChEMBLCHEMBL445647
DrugBankDB03229
ZINCZINC000001532578
PDB chain8ixm Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ixm KEtopantoate reductase of Pseudomonas
Resolution1.96 Å
Binding residue
(original residue number in PDB)		N108 F132 I133 K196 W199 N200 N204 Y263 S266
Binding residue
(residue number reindexed from 1)		N103 F127 I128 K191 W194 N195 N199 Y258 S261
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.169: 2-dehydropantoate 2-reductase.
Gene Ontology
Molecular Function
GO:0008677 2-dehydropantoate 2-reductase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0015940 pantothenate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ixm, PDBe:8ixm, PDBj:8ixm
PDBsum8ixm
PubMed38962820
UniProtQ9I2Y5

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