Structure of PDB 4djj Chain B Binding Site BS01

Receptor Information
>4djj Chain B (length=194) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTAVQLIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLV
GKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMP
PGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGY
VLGRAPRSEQELLDTSIDFALGVLPEMLAGDWTRAMQKLHSQKA
Ligand information
Ligand IDPML
InChIInChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKeyWLJVNTCWHIRURA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCC(=O)O
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCC(=O)O
FormulaC7 H12 O4
NamePIMELIC ACID
ChEMBLCHEMBL1235351
DrugBankDB01856
ZINCZINC000001529489
PDB chain4djj Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4djj Crystal structure of the complex of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Pimelic acid at 2.9 Angstrom resolution
Resolution2.94 Å
Binding residue
(original residue number in PDB)		H22 D95 E96 L97 H115 N116 V151
Binding residue
(residue number reindexed from 1)		H22 D95 E96 L97 H115 N116 V151
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H22 N70 D95 N116
Catalytic site (residue number reindexed from 1) H22 N70 D95 N116
Enzyme Commision number 3.1.1.29: peptidyl-tRNA hydrolase.
Gene Ontology
Molecular Function
GO:0004045 aminoacyl-tRNA hydrolase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006412 translation
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:4djj, PDBe:4djj, PDBj:4djj
PDBsum4djj
PubMed
UniProtQ9HVC3|PTH_PSEAE Peptidyl-tRNA hydrolase (Gene Name=pth)

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