ChemComp-5CT: Hypusine

Basic information

• Entry: Database: PDB chemical components / ID: 5CT
• Name: Name: Hypusine / Synonyms: N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine

Chemical information

Composition

Formula: C₁₀H₂₃N₃O₃ / Number of atoms: 39 / Formula weight: 233.308 / Formal charge: 0

Others

5dlq

LYS

Type: peptide linking / PDB classification: ATOMP / One letter code: K / Three letter code: 5CT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5DLQ / Parent comp.: LYS

History

Create component	Sep 7, 2015
Other modification	Sep 7, 2015
Initial release	Jan 20, 2016
Other modification	Apr 27, 2016
Modify synonyms	Mar 1, 2021
Modify backbone	Nov 3, 2023

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

Details

SMILES

• ACDLabs 12.01: C(CCNCC(O)CCN)CC(C(=O)O)N
• CACTVS 3.385: NCC[CH](O)CNCCCC[CH](N)C(O)=O
• OpenEye OEToolkits 2.0.4: C(CCNCC(CCN)O)CC(C(=O)O)N

SMILES CANONICAL

• CACTVS 3.385: NCC[C@H](O)CNCCCC[C@H](N)C(O)=O
• OpenEye OEToolkits 2.0.4: C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N

InChI

• InChI 1.03: InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1

InChIKey

• InChI 1.03: BZUIJMCJNWUGKQ-IUCAKERBSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine
• OpenEye OEToolkits 2.0.4: (2~{S})-2-azanyl-6-[[(2~{S})-4-azanyl-2-oxidanyl-butyl]amino]hexanoic acid

PDB entries

Showing all 2 items

PDB-5drn:
Context-independent anti-hypusine antibody FabHpu24 in complex with hypusine

PDB-5dtf:
context-independent anti-hypusine antibody FabHpu98.61 in complex with hypusine