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LIPP_HUMAN_17_465

Pancreatic triacylglycerol lipase [AB hydrolase superfamily. Lipase family]

Composition of the binding site

Protein chains monomer
A1 (LIPP_HUMAN):93:97, 131, 168:170, 195, 197, 230, 232, 263:273, 275:277, 280, 28193:97, 131, 168:170, 195, 197, 230, 232, 263:273, 275:277, 280, 281
Metals (Me):Ca

Full PDB list

1lpa, 1lpb, 1n8s

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
G
9
3
F
9
4
I
9
5
Y
1
3
1
H
1
6
8
S
1
6
9
L
1
7
0
A
1
9
5
P
1
9
7
L
2
3
0
F
2
3
2
W
2
6
9
T
2
7
2
R
2
7
3
A
2
7
6
A
2
7
7
H
2
8
0
L
2
8
1
[1]1lpa.b plc42 . . . . . . . . . . . . . . . . . . Ca
[1]1lpb.b mup15 . . . . . * . . . . . . . . . . . . Ca
[2]1n8s.a none . . . . . . . . . . . . . . . . . .

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 Me
G
9
3
F
9
4
I
9
5
D
9
6
K
9
7
Y
1
3
1
H
1
6
8
S
1
6
9
L
1
7
0
A
1
9
5
P
1
9
7
L
2
3
0
F
2
3
2
V
2
6
3
D
2
6
4
I
2
6
5
D
2
6
6
G
2
6
7
I
2
6
8
W
2
6
9
E
2
7
0
G
2
7
1
T
2
7
2
R
2
7
3
F
2
7
5
A
2
7
6
A
2
7
7
H
2
8
0
L
2
8
1
[1]1lpa.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Ca
[1]1lpb.b . . . . . . . * . . . . . . . . . . . . . . . . . . . . . Ca
[2]1n8s.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
1lpa.b:plc
1lpb.b:mup
1n8s.a is apo
[1] 1lpa.b
0.2
0.5 -
[1] 1lpb.b 0.3
0.8
-
[2] 1n8s.a 17 9.7
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
1lpa.b
1lpb.b
1n8s.a
[1] 1lpa.b
0
.02 .61
[1] 1lpb.b .02
0
.60
[2] 1n8s.a .61 .60
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
1lpa.b
1lpb.b
1n8s.a
[1] 1lpa.b
0
0.7 13
[1] 1lpb.b 0.7
0
13
[2] 1n8s.a 13 13
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
1lpa.b
1lpb.b
1n8s.a
[1] 1lpa.b
0
1.2 14
[1] 1lpb.b 1.2
0
14
[2] 1n8s.a 14 14
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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