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DOT1L_HUMAN_1_334

Histone-lysine N-methyltransferase, H3 lysine-79 specific [Class I-like SAM-binding methyltransferase superfamily. DOT1 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (DOT1L_HUMAN):D: DOT1 (128:141, 143, 144, 147, 161:166, 168, 169, 185:188, 191, 221:224, 239:241, 243:246, 249, 267:269, 303:305, 308:312)
R: S-adenosyl-L-methionine binding (161:166, 168)
R: S-adenosyl-L-methionine binding (222, 223)
128:141, 143, 144, 147, 161:166, 168, 169, 185:188, 191, 221:224, 239:241, 243:246, 249, 267:269, 303:305, 308:312

Full PDB list

1nw3, 3qow, 3qox, 3sr4, 3sx0, 3uwp, 4ek9, 4ekg, 4eki, 4eqz, 4er0, 4er3, 4er5, 4er6, 4er7, 4hra, 4wvl, 5drt, 5dry, 5dsx, 5dt2, 5dtm, 5dtq, 5dtr, 5juw, 5mvs, 5mw3, 5mw4 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
E
1
2
9
P
1
3
0
F
1
3
1
P
1
3
3
E
1
3
4
V
1
3
5
Y
1
3
6
G
1
3
7
E
1
3
8
T
1
3
9
S
1
4
0
L
1
4
3
V
1
4
4
M
1
4
7
D
1
6
1
L
1
6
2
G
1
6
3
S
1
6
4
G
1
6
5
V
1
6
6
Q
1
6
8
V
1
6
9
V
1
8
5
E
1
8
6
K
1
8
7
A
1
8
8
P
1
9
1
G
2
2
1
D
2
2
2
F
2
2
3
L
2
2
4
F
2
3
9
V
2
4
0
N
2
4
1
F
2
4
3
F
2
4
5
V
2
4
9
V
2
6
7
S
2
6
8
S
2
6
9
V
3
1
0
S
3
1
1
Y
3
1
2
[1]4ekg.a 0qj37 - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4eki.a 0qk39 - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4er0.a aw139 - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4er6.a aw240 - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4er7.a aw337 . - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4hra.a ep641 . . - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4wvl.a 3us47 - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5drt.a 5eg29 - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dry.b 5ek36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dsx.a 5ew35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dt2.a 5ev32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dtm.b 5f419 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dtq.b 5f620 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dtr.a 5f722 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5mvs.b 5jj,adn44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5mw3.a 5jj,5jt41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5mw4.a 5ju45 - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]3qow.a sam27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]3qox.a sah26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]3sr4.a tt827 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]3sx0.a sx027 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]4ek9.a ep421 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5juw.a 6nr28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]3uwp.a 5id20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]4eqz.a aw036 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
Y
1
2
8
E
1
2
9
P
1
3
0
F
1
3
1
S
1
3
2
P
1
3
3
E
1
3
4
V
1
3
5
Y
1
3
6
G
1
3
7
E
1
3
8
T
1
3
9
S
1
4
0
F
1
4
1
L
1
4
3
V
1
4
4
M
1
4
7
D
1
6
1
L
1
6
2
G
1
6
3
S
1
6
4
G
1
6
5
V
1
6
6
Q
1
6
8
V
1
6
9
V
1
8
5
E
1
8
6
K
1
8
7
A
1
8
8
P
1
9
1
G
2
2
1
D
2
2
2
F
2
2
3
L
2
2
4
F
2
3
9
V
2
4
0
N
2
4
1
F
2
4
3
A
2
4
4
F
2
4
5
G
2
4
6
V
2
4
9
V
2
6
7
S
2
6
8
S
2
6
9
V
3
0
3
S
3
0
4
W
3
0
5
K
3
0
8
P
3
0
9
V
3
1
0
S
3
1
1
Y
3
1
2
[1]4ekg.a - - - - . . . . * * . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4eki.a - - - - . . . . * * . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4er0.a - - - - - - - - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4er6.a - - * * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . * . *
[1]4er7.a . . - - - - - - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4hra.a . . . - - - - - - - - . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . - - . . . . *
[1]4wvl.a . - - - - - - - - . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5drt.a - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . .
[1]5dry.b . . . * . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dsx.a - . . * . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . - . . . . . . .
[1]5dt2.a - . . * . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . - . . . . . . .
[1]5dtm.b . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . - . . . . . . .
[1]5dtq.b . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . - . . . . . . .
[1]5dtr.a . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . - . . . . . . .
[1]5mvs.b . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . . . .
[1]5mw3.a . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . - . . . . . . .
[1]5mw4.a - - - - - - - - - . . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . - . . . . . . .
[2]3qow.a . . . . . * . . . * * * . . * . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . - - . . * * . *
[2]3qox.a . . . . . * . . . * * * . . * . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . * . *
[2]3sr4.a . . . . . * . . . * * * . . * . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . * . *
[2]3sx0.a . . . . . * . . . * * * . . * . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . . . *
[2]4ek9.a . . . . . * . . . * * * . . * . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . * . *
[2]5juw.a . . . . . * . . . * * * . . * . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . * . *
[3]3uwp.a . * * * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . . . . . . . . . . . . * . *
[4]4eqz.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

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
4ekg.a:0qj
4eki.a:0qk
4er0.a:aw1
4er6.a:aw2
4er7.a:aw3
4hra.a:ep6
4wvl.a:3us
5drt.a:5eg
5dry.b:5ek
5dsx.a:5ew
5dt2.a:5ev
5dtm.b:5f4
5dtq.b:5f6
5dtr.a:5f7
5mvs.b:5jj,adn
5mw3.a:5jj,5jt
5mw4.a:5ju
3qow.a:sam
3qox.a:sah
3sr4.a:tt8
3sx0.a:sx0
4ek9.a:ep4
5juw.a:6nr
3uwp.a:5id
4eqz.a:aw0
[1] 4ekg.a
0.1
0.4 0.5 0.1 0.2 0.6 0.2 4.4 5.9 2.2 1.8 2.1 1.9 2.9 2.6 3.0 1.8 0.5 0.4 0.3 0.4 0.3 0.3 0 0.4
[1] 4eki.a 0
0
0.1 0 0 0.3 0 3.9 5.9 1.5 1.1 1.4 1.3 2.3 2.3 2.3 1.3 0.2 0.2 0.2 0.2 0.2 0.2 0 0.1
[1] 4er0.a 0.2 0.4
0.3
0.1 0.2 0.4 0.1 2.1 2.3 0.4 0.8 0.5 0.3 1.3 1.5 1.6 0.6 0.1 0.1 0.1 0.1 0.1 0.4 0.1 0.3
[1] 4er6.a 0.3 0.6 0.4
0.2
0.4 0.7 0.5 1.8 2.2 4.6 4.5 2.6 2.8 5.1 3.8 3.9 1.7 0.1 0.1 0 0.1 0.1 0.1 0 0.4
[1] 4er7.a 0.2 0.4 0.4 0.3
0.2
0.4 0.2 1.6 1.3 0.3 0.9 0.5 0.7 0.9 1.4 1.4 0.4 0.1 0.1 0.1 0.1 0.1 0.1 0 0.2
[1] 4hra.a 0.3 0.3 0.2 0 0.2
0.1
0.1 2.0 2.3 1.3 1.2 1.7 2.0 3.1 3.3 3.0 1.7 0.2 0.2 0.2 0.2 0.3 0.2 0 0.1
[1] 4wvl.a 0.2 0.3 0.3 0.1 0.1 0.3
0.2
2.2 2.3 0.5 1.3 0.4 0.5 1.2 1.5 1.6 0.7 0.6 0.5 0.2 0.4 0.4 0.6 0.1 0.3
[1] 5drt.a 1.3 1.1 0.9 1.1 1.2 0.9 1.3
0
0 0 0.1 1.4 1.8 1.6 1.8 1.8 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.2 0.7
[1] 5dry.b 1.3 1.3 1.0 0.8 1.2 1.0 1.1 0.1
0
0.2 0 1.3 1.6 4.1 3.7 3.6 0.2 0.3 0.2 0.3 0.3 0.2 0.3 0.1 0.8
[1] 5dsx.a 1.3 0.8 1.0 1.0 1.4 0.9 1.2 1.2 1.4
0
0.3 1.5 1.5 2.6 2.1 2.5 0.3 0.2 0.2 0.1 0.2 0.1 0.2 0.1 0.6
[1] 5dt2.a 0.9 1.2 0.8 0.8 1.4 1.2 1.4 0.7 0.9 0.5
0
1.8 1.6 5.1 4.2 4.1 0.6 0.2 0.2 0.2 0.3 0.1 0.2 0.2 0.9
[1] 5dtm.b 2.7 2.8 2.9 2.8 2.6 3.0 2.6 5.3 6.9 4.0 3.0
0
0.1 2.8 3.4 3.3 3.8 0.2 0.1 0.1 0.3 0 0.2 0.3 2.3
[1] 5dtq.b 2.7 3.1 2.9 2.6 2.5 2.7 2.9 5.0 6.7 3.8 3.2 0
0
3.3 3.7 3.7 4.4 0.4 0.4 0.3 0.4 0.2 0.4 0.3 2.5
[1] 5dtr.a 2.7 3.0 2.6 2.8 2.5 3.1 2.9 5.5 5.8 5.4 5.5 1.5 2.3
0
0.2 0.2 3.3 0.2 0.1 0.2 0.2 0 0.2 0.1 2.4
[1] 5mvs.b 2.4 2.2 2.7 2.6 2.3 3.2 2.4 5.1 6.1 5.2 5.2 1.6 2.0 0
0
0 3.0 0.1 0 0 0 0.1 0 0.1 2.4
[1] 5mw3.a 2.6 2.2 2.7 2.5 2.4 3.1 2.7 5.2 6.1 5.5 5.5 1.6 2.5 0 0
0
2.9 0.1 0 0 0.1 0.1 0 0.1 2.5
[1] 5mw4.a 1.0 1.0 1.1 0.8 1.0 0.9 1.2 1.9 1.9 0 0 1.3 1.4 1.6 1.5 1.8
0
0.1 0.1 0.1 0.3 0 0.2 0.1 0.6
[2] 3qow.a 6.5 7.3 6.5 5.3 6.4 7.7 11 12 15 15 13 10 10 7.8 9.0 10 9.3
0.1
0 0.1 0.2 0 0 0.7 4.5
[2] 3qox.a 6.4 6.7 6.8 5.5 6.3 6.7 10 12 14 10 10 5.8 6.0 6.4 8.6 9.4 9.4 0.1
0
0 0.1 0 0 0.5 4.5
[2] 3sr4.a 6.4 6.6 6.3 5.5 6.2 6.7 10 11 14 10 10 5.7 6.0 6.6 8.4 9.3 9.7 0.1 0.1
0
0.1 0 0.1 0.4 4.6
[2] 3sx0.a 6.0 6.0 5.9 4.9 5.6 6.5 9.7 11 13 9.7 10 5.2 4.9 5.4 7.7 8.6 8.8 0.2 0.1 0.1
0.1
0 0 0.1 4.0
[2] 4ek9.a 6.2 6.3 6.4 5.1 6.3 7.0 10 12 14 10 9.8 5.8 6.3 6.8 8.8 9.4 9.4 0.1 0.2 0.1 0.3
0
0.2 0.5 4.4
[2] 5juw.a 6.1 6.7 6.1 5.4 6.0 7.1 10 12 14 10 10 5.6 5.9 6.2 8.3 9.6 9.5 0.1 0 0 0 0
0
0.4 4.3
[3] 3uwp.a 6.1 5.8 6.6 6.3 6.3 6.2 5.7 4.4 6.7 10 9.6 6.3 6.4 8.9 7.2 8.3 5.8 1.5 0.4 0.4 0.3 0.8 0.3
0
3.7
[4] 4eqz.a 1.8 1.6 1.7 1.1 2.2 1.6 1.3 7.4 11 12 10 7.1 7.4 8.2 9.1 9.1 5.8 0.3 0.1 0.2 0.1 0.3 0.3 0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (4 clusters)

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
4ekg.a
4eki.a
4er0.a
4er6.a
4er7.a
4hra.a
4wvl.a
5drt.a
5dry.b
5dsx.a
5dt2.a
5dtm.b
5dtq.b
5dtr.a
5mvs.b
5mw3.a
5mw4.a
3qow.a
3qox.a
3sr4.a
3sx0.a
4ek9.a
5juw.a
3uwp.a
4eqz.a
[1] 4ekg.a
0
.08 .15 .26 .16 .14 .15 .23 .28 .22 .27 .29 .29 .30 .29 .30 .20 .50 .40 .40 .39 .40 .40 .41 .42
[1] 4eki.a .08
0
.14 .27 .16 .13 .13 .21 .26 .21 .27 .28 .27 .28 .26 .27 .18 .55 .44 .44 .42 .42 .45 .44 .44
[1] 4er0.a .15 .14
0
.18 .06 .09 .03 .12 .16 .12 .16 .18 .18 .18 .19 .20 .09 .50 .40 .40 .41 .39 .40 .36 .40
[1] 4er6.a .26 .27 .18
0
.19 .21 .20 .22 .18 .16 .17 .19 .19 .20 .20 .21 .22 .58 .49 .50 .50 .47 .51 .24 .42
[1] 4er7.a .16 .16 .06 .19
0
.12 .07 .09 .14 .11 .15 .16 .16 .17 .16 .17 .09 .52 .42 .43 .41 .43 .42 .35 .40
[1] 4hra.a .14 .13 .09 .21 .12
0
.09 .13 .18 .14 .19 .22 .21 .22 .22 .24 .10 .48 .39 .39 .37 .37 .39 .35 .37
[1] 4wvl.a .15 .13 .03 .20 .07 .09
0
.12 .17 .13 .17 .19 .19 .20 .19 .21 .09 .51 .41 .41 .40 .40 .41 .38 .41
[1] 5drt.a .23 .21 .12 .22 .09 .13 .12
0
.06 .08 .10 .19 .19 .20 .20 .21 .06 .56 .47 .47 .45 .47 .47 .39 .48
[1] 5dry.b .28 .26 .16 .18 .14 .18 .17 .06
0
.06 .04 .14 .13 .14 .15 .16 .11 .60 .51 .52 .49 .51 .52 .35 .43
[1] 5dsx.a .22 .21 .12 .16 .11 .14 .13 .08 .06
0
.07 .14 .13 .14 .15 .16 .07 .57 .47 .48 .45 .46 .47 .33 .42
[1] 5dt2.a .27 .27 .16 .17 .15 .19 .17 .10 .04 .07
0
.15 .14 .14 .14 .15 .12 .61 .51 .52 .51 .51 .52 .33 .44
[1] 5dtm.b .29 .28 .18 .19 .16 .22 .19 .19 .14 .14 .15
0
.03 .05 .06 .06 .19 .51 .40 .42 .39 .41 .41 .30 .41
[1] 5dtq.b .29 .27 .18 .19 .16 .21 .19 .19 .13 .13 .14 .03
0
.04 .04 .05 .19 .51 .41 .42 .39 .42 .42 .31 .42
[1] 5dtr.a .30 .28 .18 .20 .17 .22 .20 .20 .14 .14 .14 .05 .04
0
.04 .04 .20 .53 .43 .44 .41 .43 .44 .29 .45
[1] 5mvs.b .29 .26 .19 .20 .16 .22 .19 .20 .15 .15 .14 .06 .04 .04
0
.02 .19 .54 .43 .44 .42 .44 .44 .31 .42
[1] 5mw3.a .30 .27 .20 .21 .17 .24 .21 .21 .16 .16 .15 .06 .05 .04 .02
0
.20 .55 .45 .45 .43 .45 .45 .32 .43
[1] 5mw4.a .20 .18 .09 .22 .09 .10 .09 .06 .11 .07 .12 .19 .19 .20 .19 .20
0
.53 .44 .44 .42 .43 .44 .39 .45
[2] 3qow.a .50 .55 .50 .58 .52 .48 .51 .56 .60 .57 .61 .51 .51 .53 .54 .55 .53
0
.13 .13 .15 .14 .13 .50 .63
[2] 3qox.a .40 .44 .40 .49 .42 .39 .41 .47 .51 .47 .51 .40 .41 .43 .43 .45 .44 .13
0
.02 .05 .05 .02 .43 .54
[2] 3sr4.a .40 .44 .40 .50 .43 .39 .41 .47 .52 .48 .52 .42 .42 .44 .44 .45 .44 .13 .02
0
.05 .05 .03 .43 .54
[2] 3sx0.a .39 .42 .41 .50 .41 .37 .40 .45 .49 .45 .51 .39 .39 .41 .42 .43 .42 .15 .05 .05
0
.08 .03 .45 .53
[2] 4ek9.a .40 .42 .39 .47 .43 .37 .40 .47 .51 .46 .51 .41 .42 .43 .44 .45 .43 .14 .05 .05 .08
0
.06 .41 .52
[2] 5juw.a .40 .45 .40 .51 .42 .39 .41 .47 .52 .47 .52 .41 .42 .44 .44 .45 .44 .13 .02 .03 .03 .06
0
.44 .54
[3] 3uwp.a .41 .44 .36 .24 .35 .35 .38 .39 .35 .33 .33 .30 .31 .29 .31 .32 .39 .50 .43 .43 .45 .41 .44
0
.55
[4] 4eqz.a .42 .44 .40 .42 .40 .37 .41 .48 .43 .42 .44 .41 .42 .45 .42 .43 .45 .63 .54 .54 .53 .52 .54 .55
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 4.1 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
4ekg.a
4eki.a
4er0.a
4er6.a
4er7.a
4hra.a
4wvl.a
5drt.a
5dry.b
5dsx.a
5dt2.a
5dtm.b
5dtq.b
5dtr.a
5mvs.b
5mw3.a
5mw4.a
3qow.a
3qox.a
3sr4.a
3sx0.a
4ek9.a
5juw.a
3uwp.a
4eqz.a
[1] 4ekg.a
0
0.9 1.0 3.8 1.1 0.9 1.4 5.7 6.0 5.6 5.7 5.3 5.4 5.5 5.9 5.5 4.7 4.0 3.6 3.5 3.6 3.5 3.6 3.9 3.6
[1] 4eki.a 0.9
0
1.2 3.8 1.2 0.7 1.5 5.3 5.7 5.2 5.3 5.0 5.0 5.1 5.5 5.1 4.3 4.0 3.6 3.6 3.6 3.6 3.6 3.9 3.6
[1] 4er0.a 1.0 1.2
0
0.8 0.4 1.1 0.7 4.4 4.9 4.4 4.4 4.3 4.3 4.4 5.0 4.4 4.3 2.5 1.6 1.5 1.6 1.5 1.6 1.2 1.5
[1] 4er6.a 3.8 3.8 0.8
0
0.9 1.8 1.5 4.1 4.6 4.1 4.1 4.0 4.0 4.1 4.7 4.1 4.3 6.8 6.5 6.4 6.5 6.4 6.5 0.7 4.0
[1] 4er7.a 1.1 1.2 0.4 0.9
0
1.2 1.3 4.3 4.8 4.3 4.3 4.2 4.3 4.4 4.8 4.4 4.2 2.9 2.1 2.0 2.0 2.0 2.0 1.9 1.4
[1] 4hra.a 0.9 0.7 1.1 1.8 1.2
0
1.6 1.9 3.7 2.5 2.3 2.4 2.5 2.5 3.6 2.6 2.0 2.9 2.5 2.4 2.4 2.5 2.4 2.3 1.8
[1] 4wvl.a 1.4 1.5 0.7 1.5 1.3 1.6
0
4.4 4.8 4.4 4.4 4.3 4.3 4.4 4.9 4.4 4.3 3.4 2.7 2.7 2.7 2.7 2.7 1.8 2.5
[1] 5drt.a 5.7 5.3 4.4 4.1 4.3 1.9 4.4
0
0.5 0.4 0.4 1.0 0.8 0.7 0.8 0.8 0.7 7.0 7.4 7.4 7.4 7.3 7.4 4.3 5.4
[1] 5dry.b 6.0 5.7 4.9 4.6 4.8 3.7 4.8 0.5
0
0.6 0.7 1.1 1.0 0.9 1.0 1.0 0.7 7.4 8.0 8.0 7.9 8.0 7.9 4.8 5.9
[1] 5dsx.a 5.6 5.2 4.4 4.1 4.3 2.5 4.4 0.4 0.6
0
0.7 1.0 0.9 0.7 0.8 0.8 0.5 7.3 7.6 7.6 7.6 7.6 7.6 4.3 5.4
[1] 5dt2.a 5.7 5.3 4.4 4.1 4.3 2.3 4.4 0.4 0.7 0.7
0
1.0 0.9 0.9 0.9 1.0 0.7 7.4 7.7 7.7 7.7 7.7 7.7 4.3 5.5
[1] 5dtm.b 5.3 5.0 4.3 4.0 4.2 2.4 4.3 1.0 1.1 1.0 1.0
0
0.4 0.6 0.5 0.6 0.7 6.9 7.2 7.2 7.1 7.2 7.1 4.2 5.1
[1] 5dtq.b 5.4 5.0 4.3 4.0 4.3 2.5 4.3 0.8 1.0 0.9 0.9 0.4
0
0.4 0.4 0.4 0.7 7.0 7.3 7.3 7.3 7.3 7.3 4.2 5.2
[1] 5dtr.a 5.5 5.1 4.4 4.1 4.4 2.5 4.4 0.7 0.9 0.7 0.9 0.6 0.4
0
0.2 0.2 0.6 7.1 7.4 7.4 7.4 7.4 7.4 4.3 5.3
[1] 5mvs.b 5.9 5.5 5.0 4.7 4.8 3.6 4.9 0.8 1.0 0.8 0.9 0.5 0.4 0.2
0
0.3 0.6 7.0 7.6 7.6 7.5 7.6 7.5 4.9 5.6
[1] 5mw3.a 5.5 5.1 4.4 4.1 4.4 2.6 4.4 0.8 1.0 0.8 1.0 0.6 0.4 0.2 0.3
0
0.7 7.1 7.4 7.4 7.4 7.4 7.4 4.3 5.2
[1] 5mw4.a 4.7 4.3 4.3 4.3 4.2 2.0 4.3 0.7 0.7 0.5 0.7 0.7 0.7 0.6 0.6 0.7
0
4.3 5.0 5.0 4.9 5.0 4.9 4.5 4.3
[2] 3qow.a 4.0 4.0 2.5 6.8 2.9 2.9 3.4 7.0 7.4 7.3 7.4 6.9 7.0 7.1 7.0 7.1 4.3
0
1.8 1.8 1.8 1.8 1.9 7.0 5.8
[2] 3qox.a 3.6 3.6 1.6 6.5 2.1 2.5 2.7 7.4 8.0 7.6 7.7 7.2 7.3 7.4 7.6 7.4 5.0 1.8
0
0.3 0.3 0.4 0.3 6.8 5.4
[2] 3sr4.a 3.5 3.6 1.5 6.4 2.0 2.4 2.7 7.4 8.0 7.6 7.7 7.2 7.3 7.4 7.6 7.4 5.0 1.8 0.3
0
0.3 0.3 0.3 6.7 5.3
[2] 3sx0.a 3.6 3.6 1.6 6.5 2.0 2.4 2.7 7.4 7.9 7.6 7.7 7.1 7.3 7.4 7.5 7.4 4.9 1.8 0.3 0.3
0
0.4 0.1 6.8 5.3
[2] 4ek9.a 3.5 3.6 1.5 6.4 2.0 2.5 2.7 7.3 8.0 7.6 7.7 7.2 7.3 7.4 7.6 7.4 5.0 1.8 0.4 0.3 0.4
0
0.4 6.7 5.3
[2] 5juw.a 3.6 3.6 1.6 6.5 2.0 2.4 2.7 7.4 7.9 7.6 7.7 7.1 7.3 7.4 7.5 7.4 4.9 1.9 0.3 0.3 0.1 0.4
0
6.8 5.3
[3] 3uwp.a 3.9 3.9 1.2 0.7 1.9 2.3 1.8 4.3 4.8 4.3 4.3 4.2 4.2 4.3 4.9 4.3 4.5 7.0 6.8 6.7 6.8 6.7 6.8
0
4.4
[4] 4eqz.a 3.6 3.6 1.5 4.0 1.4 1.8 2.5 5.4 5.9 5.4 5.5 5.1 5.2 5.3 5.6 5.2 4.3 5.8 5.4 5.3 5.3 5.3 5.3 4.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 4.1 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
4ekg.a
4eki.a
4er0.a
4er6.a
4er7.a
4hra.a
4wvl.a
5drt.a
5dry.b
5dsx.a
5dt2.a
5dtm.b
5dtq.b
5dtr.a
5mvs.b
5mw3.a
5mw4.a
3qow.a
3qox.a
3sr4.a
3sx0.a
4ek9.a
5juw.a
3uwp.a
4eqz.a
[1] 4ekg.a
0
1.3 1.0 3.9 1.3 1.4 1.4 6.3 6.5 6.2 6.4 6.1 6.2 6.2 6.5 6.3 5.3 4.5 3.9 3.9 4.0 4.0 3.6 4.1 3.6
[1] 4eki.a 1.3
0
1.4 4.0 1.6 1.3 1.6 5.9 6.1 5.8 6.0 5.7 5.8 5.8 6.1 5.9 4.8 4.5 4.1 4.1 4.1 4.1 3.8 4.2 3.7
[1] 4er0.a 1.0 1.4
0
0.8 0.5 1.3 0.8 3.9 4.2 3.8 3.9 3.8 4.0 3.9 4.6 4.1 3.8 2.7 1.7 1.7 1.7 1.7 1.8 1.5 1.5
[1] 4er6.a 3.9 4.0 0.8
0
0.9 2.0 1.5 4.6 4.8 4.6 4.6 4.5 4.7 4.7 5.2 4.8 4.8 7.1 6.7 6.6 6.7 6.6 6.6 1.1 4.1
[1] 4er7.a 1.3 1.6 0.5 0.9
0
1.6 1.2 4.8 5.1 4.8 4.9 4.8 5.0 5.0 5.3 5.1 4.8 3.3 2.3 2.2 2.2 2.3 2.3 2.1 1.6
[1] 4hra.a 1.4 1.3 1.3 2.0 1.6
0
1.8 2.6 3.7 2.9 2.8 3.1 3.1 3.0 4.0 3.2 2.5 3.6 3.3 3.3 3.3 3.3 3.3 2.8 2.3
[1] 4wvl.a 1.4 1.6 0.8 1.5 1.2 1.8
0
4.9 5.1 4.9 4.9 4.8 5.0 5.0 5.3 5.1 4.8 3.6 2.7 2.7 2.7 2.7 2.8 2.0 2.3
[1] 5drt.a 6.3 5.9 3.9 4.6 4.8 2.6 4.9
0
0.6 0.7 0.6 1.3 1.2 1.2 1.2 1.2 0.7 7.4 7.7 7.6 7.6 7.6 7.4 4.9 5.9
[1] 5dry.b 6.5 6.1 4.2 4.8 5.1 3.7 5.1 0.6
0
0.8 0.8 1.6 1.6 1.6 1.6 1.6 0.7 8.0 8.3 8.3 8.3 8.3 8.1 5.1 6.3
[1] 5dsx.a 6.2 5.8 3.8 4.6 4.8 2.9 4.9 0.7 0.8
0
0.8 1.3 1.2 1.2 1.3 1.3 0.5 7.8 8.1 8.1 8.1 8.1 7.8 4.9 6.0
[1] 5dt2.a 6.4 6.0 3.9 4.6 4.9 2.8 4.9 0.6 0.8 0.8
0
1.6 1.6 1.6 1.6 1.7 0.7 8.0 8.2 8.2 8.2 8.2 8.0 4.8 6.0
[1] 5dtm.b 6.1 5.7 3.8 4.5 4.8 3.1 4.8 1.3 1.6 1.3 1.6
0
0.5 0.9 0.8 0.9 1.1 7.4 7.6 7.6 7.6 7.6 7.4 4.8 5.9
[1] 5dtq.b 6.2 5.8 4.0 4.7 5.0 3.1 5.0 1.2 1.6 1.2 1.6 0.5
0
0.8 0.8 0.8 1.0 7.5 7.8 7.8 7.7 7.8 7.6 4.9 6.0
[1] 5dtr.a 6.2 5.8 3.9 4.7 5.0 3.0 5.0 1.2 1.6 1.2 1.6 0.9 0.8
0
0.4 0.5 1.0 7.5 7.8 7.8 7.7 7.7 7.6 4.9 5.9
[1] 5mvs.b 6.5 6.1 4.6 5.2 5.3 4.0 5.3 1.2 1.6 1.3 1.6 0.8 0.8 0.4
0
0.5 1.0 7.4 7.9 7.8 7.8 7.9 7.6 5.4 6.2
[1] 5mw3.a 6.3 5.9 4.1 4.8 5.1 3.2 5.1 1.2 1.6 1.3 1.7 0.9 0.8 0.5 0.5
0
1.0 7.5 7.8 7.8 7.7 7.8 7.5 5.1 6.0
[1] 5mw4.a 5.3 4.8 3.8 4.8 4.8 2.5 4.8 0.7 0.7 0.5 0.7 1.1 1.0 1.0 1.0 1.0
0
5.0 5.5 5.5 5.3 5.5 5.3 5.1 4.8
[2] 3qow.a 4.5 4.5 2.7 7.1 3.3 3.6 3.6 7.4 8.0 7.8 8.0 7.4 7.5 7.5 7.4 7.5 5.0
0
2.0 2.0 2.1 2.1 2.1 7.2 6.4
[2] 3qox.a 3.9 4.1 1.7 6.7 2.3 3.3 2.7 7.7 8.3 8.1 8.2 7.6 7.8 7.8 7.9 7.8 5.5 2.0
0
0.5 0.6 0.8 0.5 6.8 5.9
[2] 3sr4.a 3.9 4.1 1.7 6.6 2.2 3.3 2.7 7.6 8.3 8.1 8.2 7.6 7.8 7.8 7.8 7.8 5.5 2.0 0.5
0
0.6 0.7 0.5 6.8 5.9
[2] 3sx0.a 4.0 4.1 1.7 6.7 2.2 3.3 2.7 7.6 8.3 8.1 8.2 7.6 7.7 7.7 7.8 7.7 5.3 2.1 0.6 0.6
0
0.9 0.5 6.9 5.9
[2] 4ek9.a 4.0 4.1 1.7 6.6 2.3 3.3 2.7 7.6 8.3 8.1 8.2 7.6 7.8 7.7 7.9 7.8 5.5 2.1 0.8 0.7 0.9
0
0.6 6.8 5.9
[2] 5juw.a 3.6 3.8 1.8 6.6 2.3 3.3 2.8 7.4 8.1 7.8 8.0 7.4 7.6 7.6 7.6 7.5 5.3 2.1 0.5 0.5 0.5 0.6
0
6.9 5.7
[3] 3uwp.a 4.1 4.2 1.5 1.1 2.1 2.8 2.0 4.9 5.1 4.9 4.8 4.8 4.9 4.9 5.4 5.1 5.1 7.2 6.8 6.8 6.9 6.8 6.9
0
4.6
[4] 4eqz.a 3.6 3.7 1.5 4.1 1.6 2.3 2.3 5.9 6.3 6.0 6.0 5.9 6.0 5.9 6.2 6.0 4.8 6.4 5.9 5.9 5.9 5.9 5.7 4.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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