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CETP_HUMAN_18_493

Cholesteryl ester transfer protein [BPI/LBP/Plunc superfamily. BPI/LBP family]

Composition of the binding site

Protein chains monomer
A1 (CETP_HUMAN):28, 30, 32, 37, 40, 44, 47, 48, 91, 99, 101, 142, 144, 146, 153, 155, 208, 211, 212, 214:216, 218, 219, 222, 223, 232, 234, 238, 245, 247, 249, 278, 280, 282, 452, 454, 455, 457, 458, 460, 474, 476, 478, 480, 484, 485, 48828, 30, 32, 37, 40, 44, 47, 48, 91, 99, 101, 142, 144, 146, 153, 155, 208, 211, 212, 214:216, 218, 219, 222, 223, 232, 234, 238, 245, 247, 249, 278, 280, 282, 452, 454, 455, 457, 458, 460, 474, 476, 478, 480, 484, 485, 488
Cofactors (cF):dlp/pcw

Full PDB list

2obd, 4ews, 4f2a

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
I
2
8
C
3
0
I
3
2
L
3
7
L
4
0
T
4
4
V
4
7
I
4
8
V
9
1
I
9
9
V
1
0
1
I
1
4
2
T
1
4
4
L
1
4
6
V
1
5
3
T
1
5
5
S
2
0
8
M
2
1
1
A
2
1
2
F
2
1
4
V
2
1
5
Q
2
1
6
R
2
1
8
A
2
1
9
I
2
2
2
L
2
2
3
I
2
3
2
L
2
3
4
P
2
3
8
L
2
4
5
S
2
4
7
H
2
4
9
L
2
7
8
F
2
8
0
F
2
8
2
S
4
5
2
G
4
5
4
V
4
5
5
L
4
5
7
F
4
5
8
M
4
7
6
F
4
7
8
F
4
8
0
L
4
8
4
L
4
8
5
F
4
8
8
[1]2obd.a 2ob,pcw101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ews.a 0rp,2ob,pge90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . dlp
[1]4f2a.a 0sf,2ob,pge83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . pcw

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
I
2
8
C
3
0
I
3
2
L
3
7
L
4
0
T
4
4
V
4
7
I
4
8
V
9
1
I
9
9
V
1
0
1
I
1
4
2
T
1
4
4
L
1
4
6
V
1
5
3
T
1
5
5
S
2
0
8
M
2
1
1
A
2
1
2
F
2
1
4
V
2
1
5
Q
2
1
6
R
2
1
8
A
2
1
9
I
2
2
2
L
2
2
3
I
2
3
2
L
2
3
4
P
2
3
8
L
2
4
5
S
2
4
7
H
2
4
9
L
2
7
8
F
2
8
0
F
2
8
2
S
4
5
2
G
4
5
4
V
4
5
5
L
4
5
7
F
4
5
8
I
4
6
0
L
4
7
4
M
4
7
6
F
4
7
8
F
4
8
0
L
4
8
4
L
4
8
5
F
4
8
8
[1]2obd.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ews.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . dlp
[1]4f2a.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . pcw

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
2obd.a:2ob,pcw
4ews.a:0rp,2ob,pge
4f2a.a:0sf,2ob,pge
[1] 2obd.a
0
1.4 0.9
[1] 4ews.a 2.2
0
0.2
[1] 4f2a.a 1.9 1.3
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
2obd.a
4ews.a
4f2a.a
[1] 2obd.a
0
.06 .06
[1] 4ews.a .06
0
.04
[1] 4f2a.a .06 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
2obd.a
4ews.a
4f2a.a
[1] 2obd.a
0
0.6 0.6
[1] 4ews.a 0.6
0
0.5
[1] 4f2a.a 0.6 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
2obd.a
4ews.a
4f2a.a
[1] 2obd.a
0
0.8 0.9
[1] 4ews.a 0.8
0
0.9
[1] 4f2a.a 0.9 0.9
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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