CodeLE1
Name3-sulfanyl-L-valine
SynonymsL-LE1ICILLAMINE; L-Penicillamine
Identifier
FormulaC5 H11 N O2 S
Molecular Weight149.211
SMILES
PubChem6926436
Formal Charge0
Total Atoms20
Total Chiral Atoms1
Total Bonds19
Total Aromatic Bonds0
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9JFK A Peptide Urotensin UT Homo Sapiens (Pen5)-Urotensin II - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.23 2025-12-03 10.1016/j.jbc.2025.110794

A 2D representation of the interactions of LE1 in 9JFK
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?5 L:L:D4 8.53 3 Yes No 0 0 0 1
L:L:D4 L:L:F6 5.97 3 No Yes 0 0 1 1
L:L:?5 L:L:F6 7.66 3 Yes Yes 0 0 0 1
L:L:?5 L:L:C10 7.13 3 Yes No 0 0 0 1
L:L:?5 R:R:Y283 4.21 3 Yes Yes 0 4 0 1
L:L:?5 R:R:N297 3.7 3 Yes No 0 4 0 1
L:L:F6 R:R:L200 6.09 3 Yes No 0 4 1 2
L:L:F6 R:R:P201 10.11 3 Yes No 0 5 1 2
L:L:F6 R:R:Y283 6.19 3 Yes Yes 0 4 1 1
L:L:C10 R:R:R294 2.79 3 No No 0 4 1 2
L:L:C10 R:R:N297 4.72 3 No No 0 4 1 1
R:R:L280 R:R:Y283 3.52 0 No Yes 4 4 2 1
R:R:N297 R:R:T301 2.92 3 No No 4 5 1 2
R:R:R209 R:R:Y283 2.06 0 No Yes 3 4 2 1
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub2.00
Average Interaction Strength6.25
Average Nodes In Shell12.00
Average Hubs In Shell3.00
Average Links In Shell14.00
Average Links Mediated by Hubs In Shell11.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub2.00
Average Interaction Strength6.25
Average Nodes In Shell11.50
Average Hubs In Shell3.00
Average Links In Shell13.50
Average Links Mediated by Hubs In Shell11.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)