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.

1A1C_MALDO_2_433

1-aminocyclopropane-1-carboxylate synthase [Class-I pyridoxal-phosphate-dependent aminotransferase family]

Composition of the binding site

Protein chains monomer
A1 (1A1C_MALDO):19, 20, 23, 45:47, 119:121, 124, 145, 148, 150, 151, 198, 202, 230, 232, 233, 270, 272, 273, 281, 40719, 20, 23, 45:47, 119:121, 124, 145, 148, 150, 151, 198, 202, 230, 232, 233, 270, 272, 273, 281, 407

Full PDB list

1b8g, 1m4n, 1m7y, 1ynu, 3piu

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
1
9
W
2
3
L
4
5
A
4
6
E
4
7
G
1
1
9
A
1
2
0
T
1
2
1
Y
1
4
5
F
1
4
8
R
1
5
0
D
1
5
1
T
1
9
8
N
2
0
2
D
2
3
0
I
2
3
2
Y
2
3
3
S
2
7
0
S
2
7
2
K
2
7
3
R
2
8
1
R
4
0
7
[1]1b8g.a plp15 . . . . . . . . . . . . . . . . . . . * . .
[1]1m4n.a plp.aad39 . . . . . . . . . . . . . . . . . . . . . .
[1]1m7y.a mrd,ppg34 . . . . . . . . . . . . . . . . . . . . . .
[1]1ynu.a py422 . . . . . . . . . . . . . . . . . . . * . .
[1]3piu.a plp,plr30 . . . . . . . . . . . . . . . . . . . * . .

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
1
9
F
2
0
W
2
3
L
4
5
A
4
6
E
4
7
G
1
1
9
A
1
2
0
T
1
2
1
N
1
2
4
Y
1
4
5
F
1
4
8
R
1
5
0
D
1
5
1
T
1
9
8
N
2
0
2
D
2
3
0
I
2
3
2
Y
2
3
3
S
2
7
0
S
2
7
2
K
2
7
3
R
2
8
1
R
4
0
7
[1]1b8g.a . . . . . . . . . . . . * . . . . . . . . * . .
[1]1m4n.a . . . . . . . . . . . . . . . . . . . . . * . .
[1]1m7y.a . . . . . . . . . . . . * . . . . . . . . * . .
[1]1ynu.a . . . . . . . . . . . . * . . . . . . . . * . .
[1]3piu.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
1b8g.a:plp
1m4n.a:plp.aad
1m7y.a:mrd,ppg
1ynu.a:py4
3piu.a:plp,plr
[1] 1b8g.a
0.6
1.4 0.5 0.7 0.8
[1] 1m4n.a 0.5
0.1
0.3 1.4 0.3
[1] 1m7y.a 0.2 2.4
0
1.2 0.3
[1] 1ynu.a 0.2 2.4 0.9
0.7
0.2
[1] 3piu.a 0.8 1.9 0.9 0.9
0.8
[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
1b8g.a
1m4n.a
1m7y.a
1ynu.a
3piu.a
[1] 1b8g.a
0
.10 .09 .10 .06
[1] 1m4n.a .10
0
.14 .17 .12
[1] 1m7y.a .09 .14
0
.06 .06
[1] 1ynu.a .10 .17 .06
0
.07
[1] 3piu.a .06 .12 .06 .07
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
1b8g.a
1m4n.a
1m7y.a
1ynu.a
3piu.a
[1] 1b8g.a
0
0.4 1.2 1.4 0.3
[1] 1m4n.a 0.4
0
1.3 1.4 0.3
[1] 1m7y.a 1.2 1.3
0
0.3 1.2
[1] 1ynu.a 1.4 1.4 0.3
0
1.4
[1] 3piu.a 0.3 0.3 1.2 1.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
1b8g.a
1m4n.a
1m7y.a
1ynu.a
3piu.a
[1] 1b8g.a
0
1.4 2.5 2.6 0.7
[1] 1m4n.a 1.4
0
2.7 2.8 1.2
[1] 1m7y.a 2.5 2.7
0
0.6 2.4
[1] 1ynu.a 2.6 2.8 0.6
0
2.5
[1] 3piu.a 0.7 1.2 2.4 2.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...