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.

PTGIS_DANRE_16_480

Prostacyclin synthase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (PTGIS_DANRE):42, 45, 68, 69, 71, 73, 97, 101, 104, 209, 336, 362, 364, 462, 46342, 45, 68, 69, 71, 73, 97, 101, 104, 209, 336, 362, 364, 462, 463
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

3b98, 3b99

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
A
4
2
F
4
5
A
6
8
I
7
3
Y
9
7
R
1
0
4
L
3
3
6
R
3
6
2
C
3
6
4
G
4
6
2
F
4
6
3
[1]3b98.b none . . . . . . . . . . . hem Fe
[1]3b99.a u5124 . . . . . . . . . . . hem Fe

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 cF Me
A
4
2
F
4
5
A
6
8
A
6
9
L
7
1
I
7
3
Y
9
7
L
1
0
1
R
1
0
4
R
2
0
9
L
3
3
6
R
3
6
2
C
3
6
4
G
4
6
2
F
4
6
3
[1]3b98.b . . . . . . . . . . . . . . . hem Fe
[1]3b99.a . . . . . . . . . . . . . . . hem Fe

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
3b98.b is apo
3b99.a:u51
[1] 3b98.b
-
0.4
[1] 3b99.a -
0
[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
3b98.b
3b99.a
[1] 3b98.b
0
.03
[1] 3b99.a .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
3b98.b
3b99.a
[1] 3b98.b
0
0.6
[1] 3b99.a 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
3b98.b
3b99.a
[1] 3b98.b
0
0.8
[1] 3b99.a 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...