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.

DHPS_STAAU_2_267

Dihydropteroate synthase [DHPS family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (DHPS_STAAU):D: Pterin-binding (11, 52, 84, 103, 105, 126, 128, 167, 172, 199, 203, 239, 241)
R: 6-hydroxymethyl-7,8-dihydropterin diphosphate binding (239, 241)
11, 52, 84, 103, 105, 126, 128, 167, 172, 199, 203, 239, 241
Metals (Me):K

Full PDB list

1ad1, 1ad4

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
N
1
1
R
5
2
D
8
4
N
1
0
3
Q
1
0
5
V
1
2
6
M
1
2
8
D
1
6
7
F
1
7
2
A
1
9
9
K
2
0
3
R
2
3
9
H
2
4
1
[1]1ad1.a none . . . . . . . . . . . . . K
[1]1ad4.a hh2,mn23 . . . . . . . . . . . . . K

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 Me
N
1
1
R
5
2
D
8
4
N
1
0
3
Q
1
0
5
V
1
2
6
M
1
2
8
D
1
6
7
F
1
7
2
A
1
9
9
K
2
0
3
R
2
3
9
H
2
4
1
[1]1ad1.a . . . . . . . . . . . . . K
[1]1ad4.a . . . . . . . . . . . . . K

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
1ad1.a is apo
1ad4.a:hh2,mn
[1] 1ad1.a
-
0.8
[1] 1ad4.a -
0.4
[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
1ad1.a
1ad4.a
[1] 1ad1.a
0
.04
[1] 1ad4.a .04
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
1ad1.a
1ad4.a
[1] 1ad1.a
0
0.3
[1] 1ad4.a 0.3
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
1ad1.a
1ad4.a
[1] 1ad1.a
0
0.7
[1] 1ad4.a 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...