CodeCSD
Name3-sulfino-L-alanine
Synonyms3-Sulphino-L-alanine
Identifier(2R)-2-azanyl-3-[(S)-oxidanylsulfinyl]propanoic acid
FormulaC3 H7 N O4 S
Molecular Weight153.157
SMILESC([C@@H](C(=O)O)N)[S@@](=O)O
PubChem1549098
Formal Charge0
Total Atoms16
Total Chiral Atoms1
Total Bonds15
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
5VEW B1 Peptide Glucagon GLP-1 Homo sapiens - PF-06372222 - 2.7 2017-05-24 10.1038/nature22378

A 2D representation of the interactions of CSD in 5VEW
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
R:R:R190 R:R:V237 6.54 0 Yes No 8 6 2 1
R:R:C193 R:R:L232 4.76 0 No No 6 5 1 2
R:R:?233 R:R:C193 9.11 0 Yes No 6 6 0 1
R:R:F230 R:R:Q234 5.86 4 No Yes 5 7 2 1
R:R:F230 R:R:W284 8.02 4 No Yes 5 8 2 2
R:R:?233 R:R:Q234 3.27 0 Yes Yes 6 7 0 1
R:R:?233 R:R:C236 5.2 0 Yes No 6 5 0 1
R:R:?233 R:R:V237 4.88 0 Yes No 6 6 0 1
R:R:Q234 R:R:W284 5.48 4 Yes Yes 7 8 1 2
R:R:I309 R:R:Q234 6.86 4 No Yes 7 7 2 1
R:R:I309 R:R:W284 15.27 4 No Yes 7 8 2 2
R:R:C236 R:R:L189 3.17 0 No No 5 7 1 2
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub1.00
Average Interaction Strength5.61
Average Nodes In Shell11.00
Average Hubs In Shell4.00
Average Links In Shell12.00
Average Links Mediated by Hubs In Shell10.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5VEX B1 Peptide Glucagon GLP-1 Homo sapiens - NNC0640 - 3 2017-05-17 10.1038/nature22378

A 2D representation of the interactions of CSD in 5VEX
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
R:R:C236 R:R:R190 4.18 0 No Yes 5 8 1 2
R:R:R190 R:R:V237 7.85 0 Yes No 8 6 2 1
R:R:C193 R:R:V229 3.42 0 No No 6 7 1 2
R:R:C193 R:R:L232 4.76 0 No No 6 5 1 2
R:R:?233 R:R:C193 9.11 0 Yes No 6 6 0 1
R:R:F230 R:R:Q234 7.03 1 No Yes 5 7 2 1
R:R:F230 R:R:W284 5.01 1 No Yes 5 8 2 2
R:R:?233 R:R:Q234 4.36 0 Yes Yes 6 7 0 1
R:R:?233 R:R:C236 3.9 0 Yes No 6 5 0 1
R:R:?233 R:R:V237 6.11 0 Yes No 6 6 0 1
R:R:Q234 R:R:W284 3.29 1 Yes Yes 7 8 1 2
R:R:I309 R:R:Q234 6.86 1 No Yes 7 7 2 1
R:R:I309 R:R:W284 15.27 1 No Yes 7 8 2 2
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub1.00
Average Interaction Strength5.87
Average Nodes In Shell11.00
Average Hubs In Shell4.00
Average Links In Shell13.00
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 Links4.00
Average Number Of Links With An Hub1.00
Average Interaction Strength5.74
Average Nodes In Shell11.00
Average Hubs In Shell4.00
Average Links In Shell12.50
Average Links Mediated by Hubs In Shell10.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)