If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

A1AG2_HUMAN_18_201

Alpha-1-acid glycoprotein 2 [Calycin superfamily. Lipocalin family]

Composition of the binding site

Protein chains monomer
A1 (A1AG2_HUMAN):45, 50, 55, 59, 62, 65, 67, 69, 80, 82, 84, 97, 106:108, 110, 115:117, 130, 143, 14545, 50, 55, 59, 62, 65, 67, 69, 80, 82, 84, 97, 106:108, 110, 115:117, 130, 143, 145

Full PDB list

3apu, 3apv, 3apw, 3apx

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
4
5
F
5
0
Y
5
5
V
5
9
I
6
2
T
6
5
F
6
7
F
6
9
L
8
0
E
8
2
L
9
7
V
1
0
6
S
1
0
7
R
1
0
8
E
1
1
0
H
1
1
5
V
1
1
6
A
1
1
7
F
1
3
0
S
1
4
3
Y
1
4
5
[1]3apu.b pg413 . . . . . . . . . . . . . . . . . . . . .
[1]3apv.a tp021 . . . . . . . . . . . . . . . . . . . . .
[1]3apw.a dp025 . . . . . . . . . . . . . . . . . . . . .
[1]3apx.a z8021 . . . . . . . . . . . . . . . . . . . . .

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
Y
4
5
F
5
0
Y
5
5
V
5
9
I
6
2
T
6
5
F
6
7
F
6
9
L
8
0
E
8
2
Q
8
4
L
9
7
V
1
0
6
S
1
0
7
R
1
0
8
E
1
1
0
H
1
1
5
V
1
1
6
A
1
1
7
F
1
3
0
S
1
4
3
Y
1
4
5
[1]3apu.b . . . . . . . . . . . . . . . . . . . . . .
[1]3apv.a . . . . . . . . . . . . . . . . . . . . . .
[1]3apw.a . . . . . . . . . . . . . . . . . . . . . .
[1]3apx.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

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3apu.b:pg4
3apv.a:tp0
3apw.a:dp0
3apx.a:z80
[1] 3apu.b
0
0.6 0.1 0.3
[1] 3apv.a 0
0
0.1 0.1
[1] 3apw.a 0.1 1.0
0
0.2
[1] 3apx.a 0.2 2.4 0.9
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
3apu.b
3apv.a
3apw.a
3apx.a
[1] 3apu.b
0
.04 .04 .11
[1] 3apv.a .04
0
.06 .13
[1] 3apw.a .04 .06
0
.12
[1] 3apx.a .11 .13 .12
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 Å)

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

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3apu.b
3apv.a
3apw.a
3apx.a
[1] 3apu.b
0
0.3 0.3 0.6
[1] 3apv.a 0.3
0
0.2 0.5
[1] 3apw.a 0.3 0.2
0
0.5
[1] 3apx.a 0.6 0.5 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

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

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3apu.b
3apv.a
3apw.a
3apx.a
[1] 3apu.b
0
0.6 0.7 1.0
[1] 3apv.a 0.6
0
0.6 0.9
[1] 3apw.a 0.7 0.6
0
0.8
[1] 3apx.a 1.0 0.9 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...