ChemComp-U6A: N-carboxy-L-threonine

Basic information

• Entry: Database: PDB chemical components / ID: U6A
• Name: Name: N-carboxy-L-threonine

Chemical information

Composition

Formula: C₅H₉NO₅ / Number of atoms: 20 / Formula weight: 163.129 / Formal charge: 0

Others

6woo

Type: L-peptide NH3 amino terminus / PDB classification: ATOMP / Three letter code: U6A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WOO

History

Create component	Apr 27, 2020
Initial release	Sep 23, 2020
Modify backbone	Nov 3, 2023

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: C(NC(C(C)O)C(=O)O)(O)=O
• CACTVS 3.385: C[CH](O)[CH](NC(O)=O)C(O)=O
• OpenEye OEToolkits 2.0.7: CC(C(C(=O)O)NC(=O)O)O

SMILES CANONICAL

• CACTVS 3.385: C[C@@H](O)[C@H](NC(O)=O)C(O)=O
• OpenEye OEToolkits 2.0.7: C[C@H]([C@@H](C(=O)O)NC(=O)O)O

InChI

• InChI 1.03: InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1

InChIKey

• InChI 1.03: OJLPTWSLDBSLEH-GBXIJSLDSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-carboxy-L-threonine
• OpenEye OEToolkits 2.0.7: (2~{S},3~{R})-2-(carboxyamino)-3-oxidanyl-butanoic acid

PDB entries

Showing all 3 items

PDB-6woo:
CryoEM structure of yeast 80S ribosome with Met-tRNAiMet, eIF5B, and GDP

PDB-9d3h:
Thermotoga maritima threonylcarbamoyl adenylate synthase (TsaC2) in complex with N-carboxy-L-threonine, magnesium and pyrophosphate.

PDB-9dsv:
Thermotoga maritima threonylcarbamoyl adenylate synthase (TsaC2) in complex with N-carboxy-L-threonine, magnesium and ATP