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- ChemComp-3K0: N-sulfamoyl-L-glutamic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 3K0
NameName: N-sulfamoyl-L-glutamic acid

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Chemical information

Composition
Formula: C5H10N2O6S / Number of atoms: 24 / Formula weight: 226.208 / Formal charge: 0
Others

4w9y

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3K0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4W9Y
History
Create componentAug 28, 2014
Modify descriptorSep 5, 2014
Initial releaseSep 23, 2015
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=S(=O)(NC(C(=O)O)CCC(=O)O)N
CACTVS 3.385N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C(CC(=O)O)C(C(=O)O)NS(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)N[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1

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InChIKey

InChI 1.03ZYYFXKZXQCQRTJ-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-sulfamoyl-L-glutamic acid
OpenEye OEToolkits 1.9.2(2S)-2-(sulfamoylamino)pentanedioic acid

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PDB entries

Showing all 3 items

PDB-4w9y:
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47

PDB-6sn6:
CARBOXYPEPTIDASE T WITH N-SULFAMOYL-L-GLUTAMIC ACID

PDB-6z28:
Carboxypeptidase T mutant L254N with N-sulfamoyl-L-glutamic acid

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