Structure of PDB 8axp Chain B Binding Site BS01

Receptor Information

>8axp Chain B (length=189) Species: 485 (Neisseria gonorrhoeae)

NTIKMVVGLGNPGKEYEQTRHNAGFWFLDELAWKWKASFKEEKKFFGEVA
RAALPDGDVWLLKPATFMNRSGQAVAALAQFYKIKPEEILVVHDELDIPC
GRIKFKLGGGNGGHNGLKDIQAKLGTADYYRLRLGIGHPGDRNLVVGYVL
NKPSAEHRRQIDDAVAKSLQAVPDIISGKWEEATRFLHS

Ligand information

• Ligand ID: O0J
• InChI: InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
• InChIKey: VBBNSESFUHRMJU-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: CC(=O)Nc1ccc(cc1)c2csc(N)n2
  ACDLabs 12.01: Nc2nc(c1ccc(cc1)NC(C)=O)cs2
  OpenEye OEToolkits 2.0.6: CC(=O)Nc1ccc(cc1)c2csc(n2)N
• Formula: C11 H11 N3 O S
• Name: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
• ZINC: ZINC000000058195
• PDB chain: 8axp Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8axp Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): H23 L98 G115 H116 N117 V148 V151
• Binding residue (residue number reindexed from 1): H21 L96 G113 H114 N115 V146 V149
• Annotation score: 1

Enzymatic activity

• 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

External links

• PDB: RCSB:8axp, PDBe:8axp, PDBj:8axp
• PDBsum: 8axp
• PubMed: 36265082
• UniProt: B4RK78|PTH_NEIG2 Peptidyl-tRNA hydrolase (Gene Name=pth)