ChemComp-WYK: (2S,4S)-4-hydroxy-L-arginine

Basic information

• Entry: Database: PDB chemical components / ID: WYK
• Name: Name: (2S,4S)-4-hydroxy-L-arginine; Synonyms: (2S,4S)-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid

Chemical information

Composition

Formula: C₆H₁₄N₄O₃ / Number of atoms: 27 / Formula weight: 190.2 / Formal charge: 0

Others

8om1

ARG

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: R / Three letter code: WYK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OM1 / Parent comp.: ARG

History

Create component	May 23, 2023
Modify parent residue	Jul 12, 2023
Modify one letter code	Jul 13, 2023
Initial release	Aug 9, 2023
Modify backbone	Nov 3, 2023

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

Details

SMILES

• CACTVS 3.385: N[CH](C[CH](O)CNC(N)=N)C(O)=O
• OpenEye OEToolkits 2.0.7: C(C(CNC(=N)N)O)C(C(=O)O)N

SMILES CANONICAL

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

InChI

• InChI 1.06: InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1

InChIKey

• InChI 1.06: OPCBKDJCJYBGTQ-IMJSIDKUSA-N

PDB entries

Showing all 1 items

PDB-9x51:
Crystal structure of Fgm3 in complex with PLP and 4(S)-OH-L-Arg