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.

CP19A_HUMAN_41_503

Aromatase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CP19A_HUMAN):115, 133, 134, 221, 224, 305, 306, 309, 310, 313, 369, 370, 372:374, 477, 478115, 133, 134, 221, 224, 305, 306, 309, 310, 313, 369, 370, 372:374, 477, 478
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

3eqm, 3s79, 3s7s, 4gl5, 4kq8, 5jkv, 5jkw, 5jl6, 5jl7, 5jl9 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
R
1
1
5
I
1
3
3
F
1
3
4
F
2
2
1
W
2
2
4
A
3
0
6
D
3
0
9
T
3
1
0
V
3
1
3
V
3
7
0
L
3
7
2
V
3
7
3
M
3
7
4
L
4
7
7
S
4
7
8
[1]3s7s.a exm22 . . . . . . . . . . . . . . . hem Fe
[1]4gl5.a g2926 . . . . . . . . . . . . . . . hem Fe
[1]5jkv.a asd21 . . . . . . . . . . . . . . . hem Fe
[1]5jkw.a tes21 . . . . . . . . . . . . . . . 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
R
1
1
5
I
1
3
3
F
1
3
4
F
2
2
1
W
2
2
4
I
3
0
5
A
3
0
6
D
3
0
9
T
3
1
0
V
3
1
3
V
3
6
9
V
3
7
0
L
3
7
2
V
3
7
3
M
3
7
4
L
4
7
7
S
4
7
8
[1]3s7s.a . . . . . . . . . . . . . . . . . hem Fe
[1]4gl5.a . . . . . . . . . . . . . . . . . hem Fe
[1]5jkv.a . . . . . . . . . . . . . . . . . hem Fe
[1]5jkw.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
3s7s.a:exm
4gl5.a:g29
5jkv.a:asd
5jkw.a:tes
[1] 3s7s.a
0
0.2 0 0.1
[1] 4gl5.a 0
0
0 0
[1] 5jkv.a 0.1 0.2
0
0
[1] 5jkw.a 0.1 0.1 0
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
3s7s.a
4gl5.a
5jkv.a
5jkw.a
[1] 3s7s.a
0
.02 .01 .01
[1] 4gl5.a .02
0
.01 .01
[1] 5jkv.a .01 .01
0
.01
[1] 5jkw.a .01 .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
3s7s.a
4gl5.a
5jkv.a
5jkw.a
[1] 3s7s.a
0
0.3 0.2 0.2
[1] 4gl5.a 0.3
0
0.3 0.3
[1] 5jkv.a 0.2 0.3
0
0.1
[1] 5jkw.a 0.2 0.3 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
3s7s.a
4gl5.a
5jkv.a
5jkw.a
[1] 3s7s.a
0
0.3 0.3 0.3
[1] 4gl5.a 0.3
0
0.3 0.3
[1] 5jkv.a 0.3 0.3
0
0.2
[1] 5jkw.a 0.3 0.3 0.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...