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MGLL_HUMAN_1_303

Monoglyceride lipase [AB hydrolase superfamily. Monoacylglycerol lipase family]

Composition of the binding site

Protein chains monomer
A1 (MGLL_HUMAN):50, 51, 53, 57, 121:123, 148, 150:152, 155, 156, 159, 176, 179, 181, 184, 185, 190, 191, 194, 205, 210, 213, 214, 217, 241, 242, 269, 270, 27350, 51, 53, 57, 121:123, 148, 150:152, 155, 156, 159, 176, 179, 181, 184, 185, 190, 191, 194, 205, 210, 213, 214, 217, 241, 242, 269, 270, 273

Full PDB list

3hju, 3jw8, 3jwe, 3pe6, 4uuq

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
G
5
0
A
5
1
E
5
3
H
1
2
1
S
1
2
2
M
1
2
3
L
1
4
8
L
1
5
0
A
1
5
1
N
1
5
2
S
1
5
5
A
1
5
6
L
1
7
6
I
1
7
9
S
1
8
1
L
1
8
4
S
1
8
5
E
1
9
0
V
1
9
1
Y
1
9
4
L
2
0
5
G
2
1
0
L
2
1
3
L
2
1
4
V
2
1
7
L
2
4
1
C
2
4
2
H
2
6
9
V
2
7
0
K
2
7
3
[1]3hju.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3jw8.a mrd,mrd16 . . . . . * . . . . . . . . . . . . . . . . . . . . . . . .
[1]3jwe.b f4p23 . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3pe6.a zyh33 . . . . . . . . . . . . S . . . . . . . . . . . . . . . . .
[1]4uuq.a 64d20 . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
G
5
0
A
5
1
E
5
3
R
5
7
H
1
2
1
S
1
2
2
M
1
2
3
L
1
4
8
L
1
5
0
A
1
5
1
N
1
5
2
S
1
5
5
A
1
5
6
F
1
5
9
L
1
7
6
I
1
7
9
S
1
8
1
L
1
8
4
S
1
8
5
E
1
9
0
V
1
9
1
Y
1
9
4
L
2
0
5
G
2
1
0
L
2
1
3
L
2
1
4
V
2
1
7
L
2
4
1
C
2
4
2
H
2
6
9
V
2
7
0
K
2
7
3
[1]3hju.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3jw8.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3jwe.b . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3pe6.a . . . . . . . . . . . . . * S . . . . . . . . . . . . . . . . .
[1]4uuq.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3hju.a is apo
3jw8.a:mrd
3jwe.b:f4p
3pe6.a:zyh
4uuq.a:64d
[1] 3hju.a
-
0 0.5 1.2 0.5
[1] 3jw8.a -
0
0.6 1.1 0.4
[1] 3jwe.b - 0.1
0.8
0.6 0.6
[1] 3pe6.a - 1.1 1.7
0
2.8
[1] 4uuq.a - 0.1 0.8 1.1
0.6
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
3hju.a
3jw8.a
3jwe.b
3pe6.a
4uuq.a
[1] 3hju.a
0
.02 .04 .16 .04
[1] 3jw8.a .02
0
.04 .15 .03
[1] 3jwe.b .04 .04
0
.15 .02
[1] 3pe6.a .16 .15 .15
0
.16
[1] 4uuq.a .04 .03 .02 .16
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3hju.a
3jw8.a
3jwe.b
3pe6.a
4uuq.a
[1] 3hju.a
0
2.0 0.8 2.7 2.0
[1] 3jw8.a 2.0
0
1.9 1.6 0.4
[1] 3jwe.b 0.8 1.9
0
2.6 1.9
[1] 3pe6.a 2.7 1.6 2.6
0
1.6
[1] 4uuq.a 2.0 0.4 1.9 1.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.6 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3hju.a
3jw8.a
3jwe.b
3pe6.a
4uuq.a
[1] 3hju.a
0
2.1 1.4 3.4 2.1
[1] 3jw8.a 2.1
0
2.0 2.6 0.7
[1] 3jwe.b 1.4 2.0
0
3.3 2.1
[1] 3pe6.a 3.4 2.6 3.3
0
2.6
[1] 4uuq.a 2.1 0.7 2.1 2.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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