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PTGIS_HUMAN_20_500

Prostacyclin synthase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (PTGIS_HUMAN):99, 100, 103, 282:284, 28799, 100, 103, 282:284, 287
Cofactors (cF):bog/hem
Metals (Me):Fe

Full PDB list

2iag, 3b6h

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
Y
9
9
A
1
0
0
L
1
0
3
A
2
8
3
T
2
8
4
N
2
8
7
[1]2iag.a none . . . . . . hem Fe
[1]3b6h.a mxd15 . . . . . . bog,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
Y
9
9
A
1
0
0
L
1
0
3
W
2
8
2
A
2
8
3
T
2
8
4
N
2
8
7
[1]2iag.a . . . . . . . hem Fe
[1]3b6h.a . . . . . . . bog,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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
2iag.a is apo
3b6h.a:mxd
[1] 2iag.a
-
0.1
[1] 3b6h.a -
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2iag.a
3b6h.a
[1] 2iag.a
0
.01
[1] 3b6h.a .01
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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2iag.a
3b6h.a
[1] 2iag.a
0
1.3
[1] 3b6h.a 1.3
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
2iag.a
3b6h.a
[1] 2iag.a
0
2.6
[1] 3b6h.a 2.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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