CodeTHO
NameL-Threoninol
SynonymsL-Threoninol
Identifier(2R,3R)-2-aminobutane-1,3-diol
FormulaC4 H11 N O2
Molecular Weight105.136
SMILESC[C@H]([C@@H](CO)N)O
PubChem2033049
Formal Charge0
Total Atoms18
Total Chiral Atoms2
Total Bonds17
Total Aromatic Bonds0
Networks1
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This ligand is also present in the following network:

Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7YAE A Peptide Somatostatin SST2 Homo Sapiens Octreotide - Gi1/Beta1/Gamma2 3.37 2023-04-19  10.1038/s41467-023-36673-z

A 2D representation of the interactions of THO in 7YAE
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:Q102 R:R:S192 5.78 5 Yes No 5 4 2 1
R:R:N186 R:R:S192 7.45 0 No No 1 4 2 1
R:R:I195 R:R:T194 3.04 4 Yes No 5 4 2 1
L:L:?8 R:R:T194 7.65 19 Yes No 0 4 0 1
L:L:?1 R:R:P286 5.59 19 Yes No 0 2 1 2
L:L:C7 R:R:F294 2.79 19 Yes Yes 0 4 1 2
L:L:?1 L:L:C2 10.81 19 Yes No 0 0 1 2
L:L:?1 L:L:C7 13.51 19 Yes Yes 0 0 1 1
L:L:?1 L:L:?8 16.81 19 Yes Yes 0 0 1 0
L:L:C2 L:L:C7 7.28 19 No Yes 0 0 2 1
L:L:?8 L:L:C7 4.12 19 Yes Yes 0 0 0 1
L:L:?1 R:R:I284 2.43 19 Yes No 0 1 1 2
L:L:?8 R:R:S192 1.95 19 Yes No 0 4 0 1
L:L:C7 R:R:K291 1.62 19 Yes No 0 3 1 2
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.63
Average Nodes In Shell13.00
Average Hubs In Shell6.00
Average Links In Shell14.00
Average Links Mediated by Hubs In Shell13.00

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 Hub2.00
Average Interaction Strength7.63
Average Nodes In Shell13.00
Average Hubs In Shell6.00
Average Links In Shell14.00
Average Links Mediated by Hubs In Shell13.00

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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 🔍)