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ALF1_THETK_1_263

Fructose-bisphosphate aldolase class 1 [DeoC/FbaB aldolase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ALF1_THETK):R: Substrate binding (24, 25)
R: Substrate binding (177, 179)
R: Substrate binding (202:204)
R: Substrate binding (231, 232)
22, 28, 29, 144, 146, 148, 229, 230
22, 24, 25, 28, 29, 144, 146, 148, 177, 179, 202:204, 229:232

Full PDB list

1ojx, 1ok4, 1ok6, 1w8s, 2yce (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
A
2
2
D
2
4
H
2
5
E
2
8
H
2
9
W
1
4
4
Y
1
4
6
R
1
4
8
K
1
7
7
K
1
7
9
S
2
0
2
G
2
0
3
G
2
0
4
A
2
2
9
V
2
3
0
G
2
3
1
R
2
3
2
[1]1ojx.c none . . . . . . . . . . . . . . . . .
[1]1ok4.a 13p9 . . . . . . . . * . . . . . . . .
[1]1w8s.a fbp20 . . . . . E F . . . . . . . . . .
[1]2yce.a m2p20 . . . . . . F . * . . . . . . . .

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
A
2
2
D
2
4
H
2
5
E
2
8
H
2
9
W
1
4
4
Y
1
4
6
R
1
4
8
K
1
7
7
K
1
7
9
S
2
0
2
G
2
0
3
G
2
0
4
A
2
2
9
V
2
3
0
G
2
3
1
R
2
3
2
[1]1ojx.c . . . . . . . . . . . . . . . . .
[1]1ok4.a . . . . . . . . * . . . . . . . .
[1]1w8s.a . . . . . E F . . . . . . . . . .
[1]2yce.a . . . . . . F . * . . . . . . . .

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
1ojx.c is apo
1ok4.a:13p
1w8s.a:fbp
2yce.a:m2p
[1] 1ojx.c
-
0.7 0.7 0.5
[1] 1ok4.a -
0.7
1.0 0.6
[1] 1w8s.a - 0.2
0.3
0.3
[1] 2yce.a - 0.6 0.9
0.7
[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
1ojx.c
1ok4.a
1w8s.a
2yce.a
[1] 1ojx.c
0
.04 .04 .05
[1] 1ok4.a .04
0
.05 .01
[1] 1w8s.a .04 .05
0
.05
[1] 2yce.a .05 .01 .05
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
1ojx.c
1ok4.a
1w8s.a
2yce.a
[1] 1ojx.c
0
0.2 0.2 0.2
[1] 1ok4.a 0.2
0
0.1 0.1
[1] 1w8s.a 0.2 0.1
0
0.1
[1] 2yce.a 0.2 0.1 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue 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
1ojx.c
1ok4.a
1w8s.a
2yce.a
[1] 1ojx.c
0
0.5 0.7 0.5
[1] 1ok4.a 0.5
0
0.4 0.4
[1] 1w8s.a 0.7 0.4
0
0.6
[1] 2yce.a 0.5 0.4 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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