Structure of PDB 9bk8 Chain A Binding Site BS01

Receptor Information
>9bk8 Chain A (length=116) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEPTRIATNDRLSAAVCFDALVFLSGQVPGQAEDIHGQTREVLAKIDALL
AEAGSRKERILSATIYLKDIARDFAALNEVWTQWLPTGQAPSRTTVQAEL
ARPSVLVEITVVAARG
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 chain9bk8 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9bk8 Crystal structure of RidA family protein PA5083 from Pseudomonas aeruginosa with 2-ketobutyric acid bound
Resolution1.67 Å
Binding residue
(original residue number in PDB)		R93 T94 T95
Binding residue
(residue number reindexed from 1)		R93 T94 T95
Annotation score1
External links