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.

BMRR_BACSU_1_120

Multidrug-efflux transporter 1 regulator

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BMRR_BACSU):D: HTH merR-type (5, 35, 37, 44, 46)
3, 4
3:5, 35, 37, 44, 46

Full PDB list

1exi, 1exj, 1r8e, 3d6y, 3d6z, 3d70, 3d71, 3iao, 3q1m, 3q2y, 3q3d, 3q5p, 3q5r, 3q5s (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
E
3
Y
5
Y
3
5
Y
4
4
[1]1exi.a 118,sb25 . . . .
[1]1r8e.a p4p25 . . . .
[2]3iao.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
E
3
S
4
Y
5
Y
3
5
D
3
7
Y
4
4
T
4
6
[1]1exi.a . . . . . . .
[1]1r8e.a . . . . . . .
[2]3iao.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
1exi.a:118,sb
1r8e.a:p4p
3iao.a is apo
[1] 1exi.a
0
0.1 -
[1] 1r8e.a 0
0
-
[2] 3iao.a 4.2 4.6
-
[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
1exi.a
1r8e.a
3iao.a
[1] 1exi.a
0
.01 .64
[1] 1r8e.a .01
0
.66
[2] 3iao.a .64 .66
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.5 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
1exi.a
1r8e.a
3iao.a
[1] 1exi.a
0
0.7 2.1
[1] 1r8e.a 0.7
0
1.9
[2] 3iao.a 2.1 1.9
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
1exi.a
1r8e.a
3iao.a
[1] 1exi.a
0
1.5 2.9
[1] 1r8e.a 1.5
0
3.2
[2] 3iao.a 2.9 3.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...