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CHKB_HUMAN_17_395

Choline/ethanolamine kinase [Choline/ethanolamine kinase family]

Composition of the binding site

Protein chains monomer
A1 (CHKB_HUMAN):74:76, 80, 82, 102, 104, 133, 145:148, 152, 246, 247, 249, 263, 26474:77, 79, 80, 82, 102, 104, 133, 145:148, 152, 246, 247, 249, 263, 264
Cofactors (cF):hc7
Metals (Me):Mg

Full PDB list

2ig7, 3feg, 3lq3 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 cF Me
V
7
4
L
8
2
L
1
0
2
R
1
0
4
P
1
3
3
E
1
4
5
Q
1
4
6
Y
1
4
7
I
1
4
8
G
2
4
6
N
2
4
7
L
2
4
9
V
2
6
3
D
2
6
4
[1]3feg.a adp,amp50 . . . . . . . . . . . . . . hc7 Mg
[2]2ig7.a none . . . . . . . . . . . . . .

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

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PDB.ch
A1 cF Me
V
7
4
S
7
5
G
7
6
G
7
7
S
7
9
N
8
0
L
8
2
L
1
0
2
R
1
0
4
P
1
3
3
E
1
4
5
Q
1
4
6
Y
1
4
7
I
1
4
8
P
1
5
2
G
2
4
6
N
2
4
7
L
2
4
9
V
2
6
3
D
2
6
4
[1]3feg.a . - - - - . . . . . . . . . . . . . . . hc7 Mg
[2]2ig7.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
3feg.a:adp,amp
2ig7.a is apo
[1] 3feg.a
0
-
[2] 2ig7.a 5.2
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
3feg.a
2ig7.a
[1] 3feg.a
0
.26
[2] 2ig7.a .26
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
3feg.a
2ig7.a
[1] 3feg.a
0
1.7
[2] 2ig7.a 1.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
3feg.a
2ig7.a
[1] 3feg.a
0
2.3
[2] 2ig7.a 2.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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