ChemComp-VHF: (2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid

Basic information

• Entry: Database: PDB chemical components / ID: VHF
• Name: Name: (2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid

Chemical information

Composition

Formula: C₅H₁₀NO₇P / Number of atoms: 24 / Formula weight: 227.109 / Formal charge: 0

Others

7oy3

GLU

Type: L-peptide linking / PDB classification: ATOMP / One letter code: E / Three letter code: VHF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OY3 / Parent comp.: GLU

History

Create component	Mar 6, 2023
Modify atom id	Mar 6, 2023
Initial release	Mar 15, 2023
Modify backbone	Nov 3, 2023

• External links: UniChem / ChemSpider / Brenda / ChEBI / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
• OpenEye OEToolkits 2.0.7: C(CC(=O)OP(=O)(O)O)C(C(=O)O)N

SMILES CANONICAL

• CACTVS 3.385: N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O
• OpenEye OEToolkits 2.0.7: C(CC(=O)OP(=O)(O)O)[C@@H](C(=O)O)N

InChI

• InChI 1.06: InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1

InChIKey

• InChI 1.06: PJRXVIJAERNUIP-VKHMYHEASA-N

PDB entries

Showing all 3 items

PDB-8zok:
EcGPR tetramer with catalytic intermediates

PDB-8zon:
EcGPR at close conformation.

PDB-8zoo:
EcGPR at open conformation