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.

FABA_ECOLI_2_172

3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase [Thioester dehydratase family. FabA subfamily]

Composition of the binding site

Protein chains homodimer
A1 (FABA_ECOLI):27:29, 85, 88, 89, 92, 104:107, 138, 163, 166, 171, 17227:29, 85, 88, 89, 92, 104:107, 138, 163, 166, 171, 172
A2 (FABA_ECOLI):71, 72, 77:80, 114:117, 15671, 72, 77:80, 114:117, 156

Full PDB list

1mka, 1mkb, 4keh

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
P
2
7
Q
2
8
L
2
9
W
8
8
Q
8
9
G
9
2
G
1
0
4
R
1
0
5
A
1
0
6
L
1
0
7
R
1
3
8
V
1
6
3
F
1
7
2
H
7
1
F
7
2
V
7
7
M
7
8
P
7
9
G
8
0
F
1
1
4
T
1
1
5
G
1
1
6
Q
1
1
7
[1]1mka.a dac18 . . . . . . . . . . . . . * . . . . . . . . .
[1]1mkb.b none . . . . . . . . . . . . . . . . . . . . . . .
[1]4keh.b 1r333 . . . . . . . . . . . . - * . . . . . . . . .

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
P
2
7
Q
2
8
L
2
9
D
8
5
W
8
8
Q
8
9
G
9
2
G
1
0
4
R
1
0
5
A
1
0
6
L
1
0
7
R
1
3
8
V
1
6
3
F
1
6
6
A
1
7
1
F
1
7
2
H
7
1
F
7
2
V
7
7
M
7
8
P
7
9
G
8
0
F
1
1
4
T
1
1
5
G
1
1
6
Q
1
1
7
Y
1
5
6
[1]1mka.a . . . . . . . . . . . . . . . * * . . . . . . . . . .
[1]1mkb.b . . . . . . . . . . . . . . . * . . . . . . . . . . .
[1]4keh.b . . . . . . . . . . . . . . - - * . . . . . . . . . .

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
1mka.a:dac
1mkb.b is apo
4keh.b:1r3
[1] 1mka.a
0.7
- 4.6
[1] 1mkb.b 3.3
-
6.6
[1] 4keh.b 0.7 -
1.1
[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
1mka.a
1mkb.b
4keh.b
[1] 1mka.a
0
.07 .16
[1] 1mkb.b .07
0
.23
[1] 4keh.b .16 .23
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.3 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
1mka.a
1mkb.b
4keh.b
[1] 1mka.a
0
0.8 0.8
[1] 1mkb.b 0.8
0
0.8
[1] 4keh.b 0.8 0.8
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

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
1mka.a
1mkb.b
4keh.b
[1] 1mka.a
0
1.5 1.3
[1] 1mkb.b 1.5
0
2.0
[1] 4keh.b 1.3 2.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...