CodeMLE
NameN-METHYLLEUCINE
Synonyms
Identifier
FormulaC7 H15 N O2
Molecular Weight145.199
SMILES
PubChem2777993
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
9KUG A Peptide Complement Peptide C5A1 Homo Sapiens EP67 - Go/Beta1/Gamma2 3.07 2025-11-26 10.1101/2025.05.26.656101

A 2D representation of the interactions of MLE in 9KUG
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:M6 L:L:P7 3.35 2 Yes Yes 0 0 2 1
L:L:M6 L:L:R10 2.48 2 Yes Yes 0 0 2 2
L:L:?8 L:L:P7 4.35 0 No Yes 0 0 0 1
L:L:P7 L:L:R10 4.32 2 Yes Yes 0 0 1 2
L:L:P7 R:R:D282 4.83 2 Yes Yes 0 4 1 2
L:L:?8 L:L:?9 24.87 0 No Yes 0 0 0 1
L:L:?8 R:R:W102 5.03 0 No Yes 0 8 0 1
L:L:?9 L:L:R10 7.41 2 Yes Yes 0 0 1 2
L:L:?9 R:R:L92 7.04 2 Yes No 0 6 1 2
L:L:?9 R:R:I116 2.9 2 Yes No 0 6 1 2
L:L:?9 R:R:L117 2.82 2 Yes No 0 4 1 2
L:L:?9 R:R:Y290 7.15 2 Yes Yes 0 7 1 2
L:L:R10 R:R:L117 3.64 2 Yes No 0 4 2 2
L:L:R10 R:R:D282 10.72 2 Yes Yes 0 4 2 2
R:R:P103 R:R:W102 2.7 8 Yes Yes 3 8 2 1
R:R:F104 R:R:W102 2 8 Yes Yes 7 8 2 1
R:R:C109 R:R:W102 6.53 8 No Yes 9 8 2 1
R:R:C188 R:R:W102 7.84 8 No Yes 9 8 2 1
R:R:F104 R:R:P103 2.89 8 Yes Yes 7 3 2 2
R:R:C109 R:R:C188 5.46 8 No No 9 9 2 2
R:R:I116 R:R:Y290 2.42 2 No Yes 6 7 2 2
StatisticsValue
Average Number Of Links3.00
Average Number Of Links With An Hub3.00
Average Interaction Strength11.42
Average Nodes In Shell15.00
Average Hubs In Shell9.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell20.00
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
9KXS A Peptide Complement Peptide C5A1 Mus Musculus EP67 - Go/Beta1/Gamma2 3.31 2025-11-26 10.1101/2025.05.26.656101

A 2D representation of the interactions of MLE in 9KXS
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:?8 L:L:P7 2.9 3 Yes No 0 0 0 1
L:L:P7 R:R:N283 4.89 0 No No 0 4 1 2
L:L:?8 L:L:?9 21.14 3 Yes Yes 0 0 0 1
L:L:?8 R:R:L92 8.56 3 Yes No 0 6 0 1
L:L:?8 R:R:P113 5.8 3 Yes No 0 5 0 1
L:L:?8 R:R:R175 2.15 3 Yes Yes 0 4 0 1
L:L:?9 L:L:R10 6.18 3 Yes Yes 0 0 1 2
L:L:?9 R:R:I116 2.9 3 Yes No 0 6 1 2
L:L:?9 R:R:Y259 4.77 3 Yes Yes 0 7 1 2
L:L:R10 R:R:Y259 7.2 3 Yes Yes 0 7 2 2
L:L:R10 R:R:N283 13.26 3 Yes No 0 4 2 2
R:R:L92 R:R:Y291 3.52 0 No Yes 6 7 1 2
R:R:I110 R:R:R175 2.51 0 No Yes 7 4 2 1
R:R:P113 R:R:R175 7.21 3 No Yes 5 4 1 1
R:R:R175 R:R:S171 2.64 3 Yes No 4 5 1 2
R:R:C184 R:R:R175 5.57 3 No Yes 5 4 2 1
R:R:I186 R:R:R175 12.53 3 Yes Yes 5 4 2 1
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.11
Average Nodes In Shell15.00
Average Hubs In Shell7.00
Average Links In Shell17.00
Average Links Mediated by Hubs In Shell16.00
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
9KZ2 A Peptide Complement Peptide C3A Homo Sapiens EP67 - Go/Beta1/Gamma2 3.43 2025-11-26 10.1101/2025.05.26.656101

A 2D representation of the interactions of MLE in 9KZ2
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:?8 L:L:P7 5.8 7 Yes No 0 0 0 1
L:L:P7 R:R:H81 4.58 0 No No 0 7 1 2
L:L:P7 R:R:H418 15.25 0 No No 0 4 1 2
L:L:?8 L:L:?9 24.87 7 Yes Yes 0 0 0 1
L:L:?8 R:R:S78 7.96 7 Yes No 0 8 0 1
L:L:?8 R:R:I98 3.78 7 Yes Yes 0 8 0 1
L:L:?8 R:R:P99 2.9 7 Yes No 0 8 0 1
L:L:?8 R:R:I102 5.04 7 Yes Yes 0 8 0 1
L:L:?9 L:L:R10 6.18 0 Yes Yes 0 0 1 2
L:L:?9 R:R:V103 3.03 0 Yes No 0 5 1 2
L:L:?9 R:R:I421 2.9 0 Yes No 0 4 1 2
R:R:L30 R:R:S78 3 0 Yes No 6 8 2 1
R:R:I102 R:R:S74 9.29 7 Yes No 8 9 1 2
R:R:F77 R:R:I98 11.3 0 No Yes 8 8 2 1
R:R:I98 R:R:L94 2.85 7 Yes No 8 8 1 2
R:R:I98 R:R:P99 10.16 7 Yes No 8 8 1 1
R:R:I101 R:R:I98 2.94 7 No Yes 5 8 2 1
R:R:I102 R:R:I98 5.89 7 Yes Yes 8 8 1 1
R:R:P99 R:R:R161 11.53 7 No Yes 8 8 1 2
R:R:I102 R:R:M106 2.92 7 Yes No 8 9 1 2
R:R:I98 R:R:L97 1.43 7 Yes No 8 6 1 2
R:R:I101 R:R:L97 1.43 7 No No 5 6 2 2
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.39
Average Nodes In Shell20.00
Average Hubs In Shell7.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell19.00
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
9KZ8 A Peptide Complement Peptide C3A Mus Musculus EP67 - Go/Beta1/Gamma2 3.3 2025-11-26 10.1101/2025.05.26.656101

A 2D representation of the interactions of MLE in 9KZ8
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:K4 L:L:P7 8.36 2 Yes No 0 0 2 1
L:L:K4 R:R:D410 4.15 2 Yes Yes 0 9 2 2
L:L:?8 L:L:P7 2.9 0 Yes No 0 0 0 1
L:L:P7 R:R:D410 6.44 2 No Yes 0 9 1 2
L:L:?8 L:L:?9 21.14 0 Yes Yes 0 0 0 1
L:L:?8 R:R:S78 6.63 0 Yes No 0 8 0 1
L:L:?8 R:R:P99 5.8 0 Yes No 0 8 0 1
L:L:?8 R:R:I102 7.56 0 Yes Yes 0 8 0 1
L:L:?9 L:L:R10 4.94 2 Yes Yes 0 0 1 2
L:L:?9 R:R:I103 2.9 2 Yes Yes 0 5 1 2
L:L:?9 R:R:Y386 3.58 2 Yes Yes 0 8 1 2
L:L:?9 R:R:I414 8.71 2 Yes No 0 5 1 2
L:L:R10 R:R:Y386 11.32 2 Yes Yes 0 8 2 2
L:L:R10 R:R:D410 9.53 2 Yes Yes 0 9 2 2
R:R:I102 R:R:S74 4.64 0 Yes No 8 9 1 2
R:R:I98 R:R:P99 3.39 0 Yes No 8 8 2 1
R:R:I102 R:R:I98 2.94 0 Yes Yes 8 8 1 2
R:R:P99 R:R:R161 7.21 0 No Yes 8 8 1 2
R:R:I102 R:R:M106 2.92 0 Yes Yes 8 9 1 2
R:R:I414 R:R:Y386 6.04 2 No Yes 5 8 2 2
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub2.00
Average Interaction Strength8.81
Average Nodes In Shell16.00
Average Hubs In Shell11.00
Average Links In Shell20.00
Average Links Mediated by Hubs In Shell20.00
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 Links4.38
Average Number Of Links With An Hub2.00
Average Interaction Strength9.69
Average Nodes In Shell15.00
Average Hubs In Shell7.25
Average Links In Shell17.88
Average Links Mediated by Hubs In Shell16.12

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 🔍)