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- ChemComp-B3M: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: B3M
NameName: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid

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Chemical information

Composition
Formula: C6H13NO2S / Number of atoms: 23 / Formula weight: 163.238 / Formal charge: 0
Others

3f86

Type: L-peptide linking / PDB classification: ATOMP / One letter code: X / Three letter code: B3M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3F86
History
Create componentNov 19, 2008
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / 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 10.04O=C(O)CC(N)CCSC
CACTVS 3.341CSCC[CH](N)CC(O)=O
OpenEye OEToolkits 1.5.0CSCCC(CC(=O)O)N

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SMILES CANONICAL

CACTVS 3.341CSCC[C@H](N)CC(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](CC(=O)O)N

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InChI

InChI 1.03InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

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InChIKey

InChI 1.03QWVNCDVONVDGDV-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3R)-3-amino-5-(methylsulfanyl)pentanoic acid
OpenEye OEToolkits 1.5.0(3R)-3-amino-5-methylsulfanyl-pentanoic acid

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PDB entries

Showing all 4 items

PDB-6spn:
Structure of the Escherichia coli methionyl-tRNA synthetase complexed with beta-methionine

PDB-6spr:
Structure of the Escherichia coli methionyl-tRNA synthetase variant VI298 complexed with beta-methionine

PDB-8brv:
Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C complexed with beta3-methionine.

PDB-8brx:
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine

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