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.

FABF_BACSU_1_413

3-oxoacyl-[acyl-carrier-protein] synthase 2 [Beta-ketoacyl-ACP synthases family]

Composition of the binding site

Protein chains homodimer
A1 (FABF_BACSU):108, 109, 112, 163, 164, 192, 199, 203, 229, 303, 305, 340, 342, 397:399108, 109, 112, 163, 164, 192, 199, 203, 229, 303, 305, 340, 342, 397:399
A2 (FABF_BACSU):135, 138, 139135, 138, 139
Metals (Me):K

Full PDB list

4ls5, 4ls6, 4ls7, 4ls8

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 Me
G
1
0
8
I
1
0
9
L
1
1
2
A
1
6
3
C
1
6
4
S
1
9
9
F
2
0
3
F
2
2
9
H
3
0
3
T
3
0
5
H
3
4
0
L
3
4
2
L
3
9
7
G
3
9
8
F
3
9
9
M
1
3
8
I
1
3
9
[1]4ls7.b 1x916 . . . . . . . . . . . . . . . . . K
[1]4ls8.a 1xg16 . . . . * . . . . . . . . . . . .
[2]4ls5.a none . . . . . . . . . . . . . . . . . K
[2]4ls6.a none . F . . . . . . . . . . . . . . . K

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 A2 Me
G
1
0
8
I
1
0
9
L
1
1
2
A
1
6
3
C
1
6
4
E
1
9
2
S
1
9
9
F
2
0
3
F
2
2
9
H
3
0
3
T
3
0
5
H
3
4
0
L
3
4
2
L
3
9
7
G
3
9
8
F
3
9
9
V
1
3
5
M
1
3
8
I
1
3
9
[1]4ls7.b . . . . . . . . . . . . . . . . . . . K
[1]4ls8.a . . . . * . . . . . . . . . . . . . .
[2]4ls5.a . * . . * . . . . . . . . . . * . . . K
[2]4ls6.a . F . . * . . . . . . . . . . * . . . K

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
4ls7.b:1x9
4ls8.a:1xg
4ls5.a is apo
4ls6.a is apo
[1] 4ls7.b
0.1
0.4 - -
[1] 4ls8.a 0.1
0.3
- -
[2] 4ls5.a 4.0 3.8
-
-
[2] 4ls6.a 6.0 5.5 -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
4ls7.b
4ls8.a
4ls5.a
4ls6.a
[1] 4ls7.b
0
.01 .20 .31
[1] 4ls8.a .01
0
.21 .31
[2] 4ls5.a .20 .21
0
.11
[2] 4ls6.a .31 .31 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
4ls7.b
4ls8.a
4ls5.a
4ls6.a
[1] 4ls7.b
0
0.2 0.7 0.7
[1] 4ls8.a 0.2
0
0.7 0.7
[2] 4ls5.a 0.7 0.7
0
0.2
[2] 4ls6.a 0.7 0.7 0.2
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
4ls7.b
4ls8.a
4ls5.a
4ls6.a
[1] 4ls7.b
0
0.5 1.1 1.0
[1] 4ls8.a 0.5
0
1.2 1.1
[2] 4ls5.a 1.1 1.2
0
0.3
[2] 4ls6.a 1.0 1.1 0.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...