Code2ML
Namealpha-Methylleucine
Synonyms
  • alpha-Methylleucine
  • (S)-2-Methylleucine
  • 2-Methyl-L-leucine
Identifier
FormulaC7 H15 N O2
Molecular Weight145.199
SMILES
PubChem6951130
Formal Charge0
Total Atoms25
Total Chiral Atoms1
Total Bonds24
Total Aromatic Bonds0
Networks8
 missing image

This ligand is also present in the following 8 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8YW3 B1 Peptide Glucagon GLP-1 Homo sapiens Retatrutide - Gs/Beta1/Gamma2 2.68 2024-09-18 doi.org/10.1038/s41421-024-00700-0

A 2D representation of the interactions of 2ML in 8YW3
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:F6 R:R:L141 6.09 8 Yes Yes 0 5 2 1
L:L:D9 R:R:L141 6.79 0 No Yes 0 5 2 1
L:L:L14 L:L:Y10 10.55 0 No Yes 0 0 1 2
L:L:Y10 R:R:E138 3.37 18 Yes Yes 0 2 2 1
L:L:Y10 R:R:L141 5.86 18 Yes Yes 0 5 2 1
L:L:Y10 R:R:L142 3.52 18 Yes No 0 3 2 2
L:L:?13 L:L:L14 6.07 18 Yes No 0 0 0 1
L:L:?13 L:L:K16 3.71 18 Yes No 0 0 0 1
L:L:?13 L:L:K17 6.19 18 Yes No 0 0 0 1
L:L:?13 R:R:E138 5.81 18 Yes Yes 0 2 0 1
L:L:?13 R:R:L141 4.86 18 Yes Yes 0 5 0 1
L:L:L14 R:R:Y205 10.55 0 No Yes 0 3 1 2
L:L:K17 R:R:E138 8.1 18 No Yes 0 2 1 1
R:R:P137 R:R:S136 3.56 0 No No 3 1 1 2
R:R:E138 R:R:L142 6.63 18 Yes No 2 3 1 2
L:L:?13 R:R:P137 2.88 18 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub2.00
Average Interaction Strength4.92
Average Nodes In Shell13.00
Average Hubs In Shell6.00
Average Links In Shell16.00
Average Links Mediated by Hubs In Shell15.00
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
8YW4 B1 Peptide Glucagon GIP Homo sapiens Retatrutide - chim(NtGi1-Gs)/Beta1/Gamma2 3.26 2024-09-18 doi.org/10.1038/s41421-024-00700-0

A 2D representation of the interactions of 2ML in 8YW4
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:?13 L:L:D9 4.76 0 Yes No 0 0 0 1
L:L:D9 R:R:L134 2.71 0 No Yes 0 5 1 2
L:L:L14 L:L:Y10 14.07 24 No Yes 0 0 1 2
L:L:Y10 R:R:L134 8.21 24 Yes Yes 0 5 2 2
L:L:Y10 R:R:R196 5.14 24 Yes Yes 0 3 2 2
L:L:?13 L:L:I12 6.26 0 Yes No 0 0 0 1
L:L:?13 L:L:L14 6.07 0 Yes No 0 0 0 1
L:L:?13 L:L:K17 3.71 0 Yes No 0 0 0 1
L:L:L14 R:R:R196 17.01 24 No Yes 0 3 1 2
L:L:K17 R:R:F127 7.44 0 No No 0 2 1 2
L:L:K17 R:R:R131 12.38 0 No No 0 3 1 2
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub0.00
Average Interaction Strength5.20
Average Nodes In Shell10.00
Average Hubs In Shell4.00
Average Links In Shell11.00
Average Links Mediated by Hubs In Shell9.00
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
8YW5 B1 Peptide Glucagon Glucagon Homo sapiens Retatrutide - Gs/Beta1/Gamma2 2.84 2024-09-18 doi.org/10.1038/s41421-024-00700-0

A 2D representation of the interactions of 2ML in 8YW5
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:F6 R:R:Y138 9.28 6 No Yes 0 5 2 1
L:L:D9 R:R:Y138 5.75 0 No Yes 0 5 2 1
L:L:L14 L:L:Y10 10.55 0 No No 0 0 1 2
L:L:I12 R:R:S297 4.64 0 No No 0 4 1 2
L:L:?13 L:L:L14 6.07 0 Yes No 0 0 0 1
L:L:?13 L:L:K16 4.95 0 Yes No 0 0 0 1
L:L:?13 L:L:K17 7.42 0 Yes No 0 0 0 1
L:L:?13 R:R:Y138 6.17 0 Yes Yes 0 5 0 1
L:L:L14 R:R:Y202 14.07 0 No Yes 0 1 1 2
L:L:K16 R:R:Q131 5.42 0 No No 0 3 1 2
L:L:K17 R:R:A135 4.82 0 No No 0 3 1 2
R:R:V134 R:R:Y138 6.31 0 No Yes 2 5 2 1
L:L:?13 L:L:I12 3.76 0 Yes No 0 0 0 1
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub1.00
Average Interaction Strength5.67
Average Nodes In Shell14.00
Average Hubs In Shell3.00
Average Links In Shell13.00
Average Links Mediated by Hubs In Shell9.00
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
8YWF B1 Peptide Glucagon GLP-1 Homo Sapiens Retatrutide - chim(NtGi1-Gs)/Beta1/Gamma2 2.74 2025-04-16 To be published

A 2D representation of the interactions of 2ML in 8YWF
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:L20 L:L:Y16 11.72 0 No No 0 0 1 2
L:L:Y16 R:R:L141 9.38 0 No No 0 5 2 1
L:L:?19 L:L:I18 6.26 0 Yes Yes 0 0 0 1
L:L:I18 R:R:T29 7.6 1 Yes No 0 2 1 2
L:L:I18 R:R:R299 8.77 1 Yes Yes 0 4 1 2
L:L:?19 L:L:L20 7.29 0 Yes No 0 0 0 1
L:L:?19 L:L:K22 7.42 0 Yes No 0 0 0 1
L:L:?19 L:L:K23 9.9 0 Yes No 0 0 0 1
L:L:?19 R:R:L141 4.86 0 Yes No 0 5 0 1
L:L:L20 R:R:Y205 15.24 0 No Yes 0 3 1 2
L:L:K22 L:L:Q25 4.07 0 No No 0 0 1 2
L:L:K23 R:R:E138 5.4 0 No No 0 2 1 2
R:R:R299 R:R:T29 5.17 1 Yes No 4 2 2 2
R:R:R299 R:R:Y205 4.12 1 Yes Yes 4 3 2 2
L:L:I18 L:L:S14 3.1 1 Yes No 0 0 1 2
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub1.00
Average Interaction Strength7.15
Average Nodes In Shell13.00
Average Hubs In Shell4.00
Average Links In Shell15.00
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 Links5.12
Average Number Of Links With An Hub0.88
Average Interaction Strength5.65
Average Nodes In Shell12.38
Average Hubs In Shell4.12
Average Links In Shell13.62
Average Links Mediated by Hubs In Shell10.62

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 🔍)