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.

CLPS_STRNR_9_239

Cyclo(L-leucyl-L-phenylalanyl) synthase [CDPS family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CLPS_STRNR):R: Substrate binding (178, 182)
33, 35, 37, 40, 67, 152, 155, 156, 159, 186, 200, 202, 206:208
33, 35, 37, 40, 67, 152, 155, 156, 159, 178, 182, 186, 200, 202, 206:208

Full PDB list

3oqv, 4q24

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
3
3
G
3
5
S
3
7
V
6
7
M
1
5
2
A
1
5
5
V
1
5
6
N
1
5
9
Y
1
7
8
E
1
8
2
F
1
8
6
L
2
0
0
Y
2
0
2
T
2
0
6
[1]4q24.a xve22 . . C . . . . . . . . . . .
[2]3oqv.a dtd8 . . . . . . . . . . . . . .

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
L
3
3
G
3
5
S
3
7
N
4
0
V
6
7
M
1
5
2
A
1
5
5
V
1
5
6
N
1
5
9
Y
1
7
8
E
1
8
2
F
1
8
6
L
2
0
0
Y
2
0
2
T
2
0
6
P
2
0
7
I
2
0
8
[1]4q24.a . . C . . . . . . . . . . . . . .
[2]3oqv.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
4q24.a:xve
3oqv.a:dtd
[1] 4q24.a
0.4
0.5
[2] 3oqv.a 4.6
0
[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
4q24.a
3oqv.a
[1] 4q24.a
0
.28
[2] 3oqv.a .28
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
4q24.a
3oqv.a
[1] 4q24.a
0
2.4
[2] 3oqv.a 2.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.2 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
4q24.a
3oqv.a
[1] 4q24.a
0
3.1
[2] 3oqv.a 3.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...