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AFLC_ASPPU_1305_1660

Norsolorinic acid synthase

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AFLC_ASPPU):R: Product template (PT) domain (1345, 1347, 1352:1355, 1394, 1396, 1397, 1486, 1488, 1491, 1492, 1495, 1498, 1499, 1501, 1508, 1510, 1511, 1547, 1550, 1551, 1554, 1567, 1568, 1623, 1625, 1630, 1633)1345, 1347, 1352:1355, 1394, 1396, 1397, 1486, 1488, 1491, 1492, 1495, 1498, 1499, 1501, 1508, 1510, 1511, 1547, 1550, 1551, 1554, 1567, 1568, 1623, 1625, 1630, 1633

Full PDB list

3hrq, 3hrr, 5kbz

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
H
1
3
4
5
V
1
3
4
7
L
1
3
5
2
C
1
3
5
3
T
1
3
5
4
P
1
3
5
5
V
1
3
9
4
K
1
3
9
6
A
1
3
9
7
Y
1
4
8
6
R
1
4
8
8
G
1
4
9
1
Y
1
4
9
2
M
1
4
9
5
M
1
4
9
8
A
1
4
9
9
F
1
5
0
1
L
1
5
0
8
Y
1
5
1
0
L
1
5
1
1
Q
1
5
4
7
G
1
5
5
0
F
1
5
5
1
N
1
5
5
4
V
1
5
6
7
N
1
5
6
8
R
1
6
2
3
L
1
6
3
0
V
1
6
3
3
[1]3hrq.a plm18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hrr.b hc821 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kbz.a 3b241 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
H
1
3
4
5
V
1
3
4
7
L
1
3
5
2
C
1
3
5
3
T
1
3
5
4
P
1
3
5
5
V
1
3
9
4
K
1
3
9
6
A
1
3
9
7
Y
1
4
8
6
R
1
4
8
8
G
1
4
9
1
Y
1
4
9
2
M
1
4
9
5
M
1
4
9
8
A
1
4
9
9
F
1
5
0
1
L
1
5
0
8
Y
1
5
1
0
L
1
5
1
1
Q
1
5
4
7
G
1
5
5
0
F
1
5
5
1
N
1
5
5
4
V
1
5
6
7
N
1
5
6
8
R
1
6
2
3
V
1
6
2
5
L
1
6
3
0
V
1
6
3
3
[1]3hrq.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3hrr.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kbz.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3hrq.a:plm
3hrr.b:hc8
5kbz.a:3b2
[1] 3hrq.a
0
0 0.5
[1] 3hrr.b 0
0
0.6
[1] 5kbz.a 0.1 0.1
0.1
[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
3hrq.a
3hrr.b
5kbz.a
[1] 3hrq.a
0
.01 .01
[1] 3hrr.b .01
0
.02
[1] 5kbz.a .01 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
3hrq.a
3hrr.b
5kbz.a
[1] 3hrq.a
0
0.3 0.2
[1] 3hrr.b 0.3
0
0.3
[1] 5kbz.a 0.2 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
3hrq.a
3hrr.b
5kbz.a
[1] 3hrq.a
0
0.5 0.7
[1] 3hrr.b 0.5
0
0.8
[1] 5kbz.a 0.7 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

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