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LACB_BOVIN_17_178

Beta-lactoglobulin [Calycin superfamily. Lipocalin family]

Composition of the binding site

Protein chains monomer
A1 (LACB_BOVIN):28, 54, 55, 57, 59, 62, 70, 72, 74, 76, 78, 85, 87, 98, 100:106, 108, 110, 119, 121:123, 126, 134, 136, 13828, 54, 55, 57, 59, 62, 70, 72, 74, 76, 78, 85, 87, 98, 100:106, 108, 110, 119, 121:123, 126, 134, 136, 138

Full PDB list

1b0o, 1b8e, 1beb, 1bso, 1bsq, 1bsy, 1gx8, 1gx9, 1gxa, 1qg5, 1uz2, 1yup, 2akq, 2blg, 2gj5, 2q2m, 2q2p, 2q39, 2r56, 3blg, 3npo, 3nq3, 3nq9, 3ph5, 3ph6, 3ueu, 3uev, 3uew, 3uex, 4ck4, 4dq3, 4dq4, 4gny, 4ib6, 4ib7, 4ib8, 4ib9, 4iba, 4kii, 4lzu, 4lzv, 4nli, 4nlj, 4omw, 4omx, 4tlj, 4y0p, 4y0q, 4y0r, 4y0s, 5eed, 5eee, 5htd, 5hte, 5io5, 5io6, 5io7, 5k06, 5lke, 5lkf (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
2
8
P
5
4
L
5
5
V
5
7
V
5
9
L
6
2
L
7
0
I
7
2
L
7
4
K
7
6
E
7
8
K
8
5
I
8
7
I
1
0
0
A
1
0
2
L
1
0
3
N
1
0
4
N
1
0
6
V
1
0
8
V
1
1
0
L
1
1
9
F
1
2
1
M
1
2
3
A
1
3
4
Q
1
3
6
[1]1bso.a brc15 . . . . . . . . . . . . . . . . . . . . . . . V .
[1]1gx8.a rtl21 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1gx9.a rea22 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1gxa.a plm18 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2gj5.a vd328 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2r56.a lmt35 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3nq3.a dka12 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3nq9.a oca10 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3ueu.a dao14 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3uex.a ste20 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dq3.a ola20 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dq4.a eic20 . . . . . . . . . . . . . . . - - . . . . . . . .
[1]4gny.a sds17 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ib6.a dao14 . . . . . . . . . . . . . . . . . . . . . . . V .
[1]4ib7.a cat16 . . . . . . . . . . . . . . . . . . . . . . . V .
[1]4ib8.a sds17 . . . . . . . . . . . . . . . . . . . . . . . V .
[1]4ib9.a cat16 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4kii.a rhl13 . . . . . . . . . . . . . . . . . . . . . . . V .
[1]4y0p.a te419 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4y0q.a px921 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5eed.a de111 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5io6.a d1212 . . . . . . . . . . . . . . . . . . . . . . . V .
[1]5io7.a d1212 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k06.a myr16 . . . . . . . . . . . . . . . . . . . . . . . . .
[2]1yup.a none V . . . . . . . . . . . . . . . . . . . . . . . .
[2]2akq.a none . . . . . . . . . . . . . . . . . . . . . . . V .
[2]4ck4.b 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

[download in TSV format]
   
PDB.ch
A1
I
2
8
P
5
4
L
5
5
V
5
7
V
5
9
L
6
2
L
7
0
I
7
2
L
7
4
K
7
6
E
7
8
K
8
5
I
8
7
F
9
8
I
1
0
0
D
1
0
1
A
1
0
2
L
1
0
3
N
1
0
4
E
1
0
5
N
1
0
6
V
1
0
8
V
1
1
0
L
1
1
9
F
1
2
1
C
1
2
2
M
1
2
3
S
1
2
6
A
1
3
4
Q
1
3
6
L
1
3
8
[1]1bso.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . V . .
[1]1gx8.a . . . . . . * . . . . . * . . . . . . . . . . . * . . . . . .
[1]1gx9.a . . . . . . * . . . . . . . . . . . . . . . . . * . . . . . .
[1]1gxa.a . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . .
[1]2gj5.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]2r56.a . . . . . . . . . * . . . . . . . . . . . . . . * . * . . . .
[1]3nq3.a . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . .
[1]3nq9.a . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . .
[1]3ueu.a . . . . . . . . . . . . . . . . . . . . . . . . * . . - . . .
[1]3uex.a . . . . . . . . . . . . . . . . . . . . . . . . * . * - . . .
[1]4dq3.a . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . .
[1]4dq4.a . . . . . . . . . . . . . . . . . - - . . . . . * . * . . . .
[1]4gny.a . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . .
[1]4ib6.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . V . .
[1]4ib7.a . . . . . . . . . . . . . . . . . . . . . . . . * . . - V . .
[1]4ib8.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . V . .
[1]4ib9.a . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . .
[1]4kii.a . . . . . . . . . . . . . . . . . . . . . . . . * . . - V . .
[1]4y0p.a . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . .
[1]4y0q.a . . . . . . . . . . . . . . . . . . . . . . . . * . * - . . .
[1]5eed.a . . . . . . . . . . . . . . . . * * . . . . . . * . * . . . .
[1]5io6.a . . . . . . * . . . . * . . . . . . . . . . . . * . . . V . .
[1]5io7.a . . . . . . * . . . . . . . . . . . . . . . . . * . * . . . .
[1]5k06.a . * . . . . . . . * . . . . . . . * . . . . . . * . * - . . .
[2]1yup.a V . . . . . * . . . . . * . . . * * * . . . . . * . * . . . .
[2]2akq.a . . . . . . . . . . . * . . . . * * * . . . . . * . * . V . .
[2]4ck4.b . . . . . . . . . . . . . . . . * * * . . . . . * . * . . . .

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
1bso.a:brc
1gx8.a:rtl
1gx9.a:rea
1gxa.a:plm
2gj5.a:vd3
2r56.a:lmt
3nq3.a:dka
3nq9.a:oca
3ueu.a:dao
3uex.a:ste
4dq3.a:ola
4dq4.a:eic
4gny.a:sds
4ib6.a:dao
4ib7.a:cat
4ib8.a:sds
4ib9.a:cat
4kii.a:rhl
4y0p.a:te4
4y0q.a:px9
5eed.a:de1
5io6.a:d12
5io7.a:d12
5k06.a:myr
1yup.a is apo
2akq.a is apo
4ck4.b is apo
[1] 1bso.a
0
1.7 1.7 0.3 1.8 0.2 0.2 0 0.1 0.8 0.4 0.6 0.1 0.1 0 0.2 0 0.1 0 0.4 0 0 0.2 0 - - -
[1] 1gx8.a 1.6
0.1
0.6 2.7 1.3 1.9 1.7 0.1 1.7 2.3 1.6 1.7 2.0 1.9 1.9 1.9 1.8 1.5 1.6 1.9 1.6 2.1 2.4 1.6 - - -
[1] 1gx9.a 1.2 0.1
0
1.9 0.5 1.5 1.3 0 1.5 2.1 1.3 1.2 1.8 1.4 1.5 1.5 1.4 1.5 1.4 1.5 1.2 1.4 1.4 1.2 - - -
[1] 1gxa.a 0 2.2 2.4
0
0.4 0.1 0 0 0 0 0 0.1 0 0.1 0.1 0 0.1 0 0 0 0 0 0.1 0 - - -
[1] 2gj5.a 0 1.2 1.3 0
0
0 0 0 0 0.3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - - -
[1] 2r56.a 0.6 3.4 3.1 1.2 0.8
0
0 0.4 0.1 1.2 0.9 0.7 0.9 0.1 0.3 1.5 0 0 0.7 0.9 0 0 0 0 - - -
[1] 3nq3.a 0 2.4 2.8 0.3 0.8 0.1
0
0 0 0.7 0 0.1 0 0 0 0.2 0 0 0 0 0.1 0 0 0.1 - - -
[1] 3nq9.a 0.3 3.0 3.2 0.7 0.7 0.1 0.1
0
0.1 0.9 0.2 0.5 0.4 0.2 0.1 0.3 0.1 0 0.1 0.3 0.2 0.1 0.1 0.1 - - -
[1] 3ueu.a 0 1.3 1.3 0.1 0.4 0.1 0 0
0
0.3 0 0.1 0.1 0 0 0 0 0 0.1 0 0 0 0.1 0 - - -
[1] 3uex.a 0 2.8 3.0 0.1 0.5 0 0.1 0 0
0
0 0.1 0 0 0 0.1 0 0 0.1 0 0 0 0.1 0 - - -
[1] 4dq3.a 0 2.3 2.4 0.1 1.1 0.1 0 0 0 0.4
0
0.1 0 0 0 0 0 0 0 0 0 0 0 0 - - -
[1] 4dq4.a 0 2.8 2.5 0 0.8 0.1 0 0 0 0.4 0
0
0 0 0 0 0 0 0 0 0 0 0 0 - - -
[1] 4gny.a 0 2.3 3.0 0.3 1.0 0.1 0.1 0 0 0.4 0 0.1
0
0.1 0 0 0 0 0.1 0 0 0 0.1 0 - - -
[1] 4ib6.a 0 2.0 1.7 0.4 0.6 0.1 0 0 0 0.3 0.1 0.2 0.2
0
0 0.1 0 0 0.1 0.2 0 0 0 0 - - -
[1] 4ib7.a 0 1.7 1.9 0.1 1.0 0.1 0.1 0 0 0.3 0 0.1 0 0.1
0
0 0.2 0 0 0.1 0 0 0.2 0 - - -
[1] 4ib8.a 0 1.1 1.0 0.2 0.8 0.2 0 0 0 0.3 0.1 0.2 0 0 0
0
0.1 0 0.2 0 0 0 0 0 - - -
[1] 4ib9.a 0 2.4 3.0 0.3 0.7 0.1 0.1 0 0 0.3 0 0.1 0 0.1 0 0.1
0
0 0 0.1 0 0 0.1 0 - - -
[1] 4kii.a 0 1.4 1.6 0 0.7 0.3 0 0 0 0.3 0 0.1 0 0 0 0 0
0
0.1 0 0 0 0 0 - - -
[1] 4y0p.a 0 2.5 2.7 0.2 0.7 0.1 0.1 0 0 0.4 0 0.1 0 0.1 0 0 0 0
0
0 0 0.1 0.1 0.1 - - -
[1] 4y0q.a 0 2.5 2.7 0.1 0.6 0.2 0 0 0 0.3 0 0.1 0 0 0 0 0 0 0
0
0 0 0 0 - - -
[1] 5eed.a 0 3.6 3.8 0 3.0 0.2 0 0 0 0.4 0 0.2 0 0.1 0.3 0 1.0 0 0.2 0.3
0
0.1 0 0.8 - - -
[1] 5io6.a 0.1 1.4 1.9 0.8 0.7 0.1 0.1 0.3 0 1.2 0.5 0.5 0.9 0 0 1.0 0 0 0.2 0.8 0
0
0.1 0 - - -
[1] 5io7.a 0.1 2.6 2.4 0.5 0.6 0.1 0 0 0 0.7 0.2 0.3 0.3 0 0 0.2 0 0 0 0.2 0 0
0
0 - - -
[1] 5k06.a 0 2.4 2.6 0.2 2.5 3.6 0 0 0 1.2 0.8 0.7 0.3 0.3 0.3 0.1 0.5 0.1 0.2 0.5 0 0 0
0
- - -
[2] 1yup.a 2.9 5.5 4.7 3.2 7.8 4.1 1.9 3.0 2.4 3.4 2.6 2.8 2.7 2.6 4.7 3.5 5.4 2.7 3.6 2.9 2.1 2.6 2.3 4.5
-
- -
[2] 2akq.a 4.3 6.5 5.0 5.3 8.8 5.2 3.1 4.0 3.7 4.7 4.2 4.5 4.0 3.7 5.7 5.2 6.9 3.9 4.3 4.3 3.0 3.6 3.6 5.6 -
-
-
[2] 4ck4.b 3.5 6.1 5.0 4.3 8.2 4.3 1.8 3.6 3.1 3.9 3.6 3.8 3.2 2.6 5.2 3.6 6.9 2.9 3.7 3.6 1.9 2.8 2.1 4.8 - -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 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
1bso.a
1gx8.a
1gx9.a
1gxa.a
2gj5.a
2r56.a
3nq3.a
3nq9.a
3ueu.a
3uex.a
4dq3.a
4dq4.a
4gny.a
4ib6.a
4ib7.a
4ib8.a
4ib9.a
4kii.a
4y0p.a
4y0q.a
5eed.a
5io6.a
5io7.a
5k06.a
1yup.a
2akq.a
4ck4.b
[1] 1bso.a
0
.11 .09 .09 .06 .07 .10 .11 .05 .09 .08 .10 .09 .07 .05 .06 .07 .07 .07 .07 .14 .09 .10 .17 .30 .33 .33
[1] 1gx8.a .11
0
.06 .13 .08 .17 .11 .11 .09 .13 .12 .12 .11 .10 .08 .09 .11 .08 .08 .09 .19 .09 .12 .27 .29 .33 .33
[1] 1gx9.a .09 .06
0
.09 .04 .13 .09 .10 .05 .11 .11 .11 .10 .06 .06 .06 .09 .05 .08 .07 .16 .08 .09 .23 .28 .33 .33
[1] 1gxa.a .09 .13 .09
0
.07 .07 .05 .06 .08 .03 .05 .05 .04 .09 .08 .07 .04 .08 .05 .03 .12 .11 .05 .16 .28 .29 .29
[1] 2gj5.a .06 .08 .04 .07
0
.11 .09 .10 .02 .08 .09 .09 .07 .05 .05 .04 .06 .04 .06 .07 .14 .06 .08 .20 .31 .31 .32
[1] 2r56.a .07 .17 .13 .07 .11
0
.08 .10 .10 .07 .07 .09 .08 .11 .11 .11 .06 .12 .09 .08 .12 .15 .10 .15 .29 .33 .33
[1] 3nq3.a .10 .11 .09 .05 .09 .08
0
.03 .09 .05 .04 .04 .03 .11 .08 .08 .04 .07 .05 .05 .12 .09 .05 .18 .26 .30 .29
[1] 3nq9.a .11 .11 .10 .06 .10 .10 .03
0
.10 .07 .05 .04 .05 .10 .09 .09 .05 .09 .05 .05 .13 .08 .04 .20 .26 .29 .27
[1] 3ueu.a .05 .09 .05 .08 .02 .10 .09 .10
0
.07 .07 .09 .07 .04 .04 .04 .06 .04 .07 .07 .12 .07 .09 .19 .29 .31 .32
[1] 3uex.a .09 .13 .11 .03 .08 .07 .05 .07 .07
0
.04 .04 .02 .09 .07 .07 .02 .08 .05 .03 .11 .11 .05 .18 .27 .29 .28
[1] 4dq3.a .08 .12 .11 .05 .09 .07 .04 .05 .07 .04
0
.02 .03 .09 .07 .06 .02 .08 .04 .04 .11 .10 .05 .16 .27 .30 .29
[1] 4dq4.a .10 .12 .11 .05 .09 .09 .04 .04 .09 .04 .02
0
.02 .11 .08 .07 .03 .07 .04 .04 .13 .10 .05 .17 .27 .30 .28
[1] 4gny.a .09 .11 .10 .04 .07 .08 .03 .05 .07 .02 .03 .02
0
.09 .07 .07 .02 .07 .03 .03 .11 .09 .05 .18 .27 .28 .28
[1] 4ib6.a .07 .10 .06 .09 .05 .11 .11 .10 .04 .09 .09 .11 .09
0
.03 .06 .08 .04 .08 .08 .13 .07 .10 .21 .31 .32 .32
[1] 4ib7.a .05 .08 .06 .08 .05 .11 .08 .09 .04 .07 .07 .08 .07 .03
0
.03 .05 .03 .04 .05 .13 .06 .08 .21 .29 .31 .31
[1] 4ib8.a .06 .09 .06 .07 .04 .11 .08 .09 .04 .07 .06 .07 .07 .06 .03
0
.06 .04 .06 .06 .15 .05 .06 .19 .31 .30 .32
[1] 4ib9.a .07 .11 .09 .04 .06 .06 .04 .05 .06 .02 .02 .03 .02 .08 .05 .06
0
.07 .03 .02 .09 .09 .04 .17 .25 .27 .27
[1] 4kii.a .07 .08 .05 .08 .04 .12 .07 .09 .04 .08 .08 .07 .07 .04 .03 .04 .07
0
.05 .06 .14 .06 .10 .20 .31 .33 .33
[1] 4y0p.a .07 .08 .08 .05 .06 .09 .05 .05 .07 .05 .04 .04 .03 .08 .04 .06 .03 .05
0
.02 .11 .08 .05 .19 .27 .28 .28
[1] 4y0q.a .07 .09 .07 .03 .07 .08 .05 .05 .07 .03 .04 .04 .03 .08 .05 .06 .02 .06 .02
0
.10 .10 .05 .17 .26 .27 .27
[1] 5eed.a .14 .19 .16 .12 .14 .12 .12 .13 .12 .11 .11 .13 .11 .13 .13 .15 .09 .14 .11 .10
0
.19 .13 .15 .18 .24 .21
[1] 5io6.a .09 .09 .08 .11 .06 .15 .09 .08 .07 .11 .10 .10 .09 .07 .06 .05 .09 .06 .08 .10 .19
0
.08 .24 .33 .29 .32
[1] 5io7.a .10 .12 .09 .05 .08 .10 .05 .04 .09 .05 .05 .05 .05 .10 .08 .06 .04 .10 .05 .05 .13 .08
0
.18 .27 .28 .28
[1] 5k06.a .17 .27 .23 .16 .20 .15 .18 .20 .19 .18 .16 .17 .18 .21 .21 .19 .17 .20 .19 .17 .15 .24 .18
0
.26 .29 .29
[2] 1yup.a .30 .29 .28 .28 .31 .29 .26 .26 .29 .27 .27 .27 .27 .31 .29 .31 .25 .31 .27 .26 .18 .33 .27 .26
0
.11 .08
[2] 2akq.a .33 .33 .33 .29 .31 .33 .30 .29 .31 .29 .30 .30 .28 .32 .31 .30 .27 .33 .28 .27 .24 .29 .28 .29 .11
0
.08
[2] 4ck4.b .33 .33 .33 .29 .32 .33 .29 .27 .32 .28 .29 .28 .28 .32 .31 .32 .27 .33 .28 .27 .21 .32 .28 .29 .08 .08
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
1bso.a
1gx8.a
1gx9.a
1gxa.a
2gj5.a
2r56.a
3nq3.a
3nq9.a
3ueu.a
3uex.a
4dq3.a
4dq4.a
4gny.a
4ib6.a
4ib7.a
4ib8.a
4ib9.a
4kii.a
4y0p.a
4y0q.a
5eed.a
5io6.a
5io7.a
5k06.a
1yup.a
2akq.a
4ck4.b
[1] 1bso.a
0
0.9 1.0 1.1 0.7 1.4 0.7 0.7 0.8 0.9 0.7 0.7 1.1 0.5 0.7 0.8 0.7 0.6 0.7 0.6 2.7 0.6 0.7 1.8 2.3 2.5 2.4
[1] 1gx8.a 0.9
0
0.5 0.7 0.8 1.2 0.9 0.9 0.9 0.8 0.8 0.6 0.9 0.8 0.7 0.8 0.9 0.8 0.8 0.7 2.6 0.8 1.0 1.8 2.2 2.4 2.3
[1] 1gx9.a 1.0 0.5
0
0.7 0.8 1.4 0.9 0.9 0.9 0.9 0.9 0.6 1.0 0.8 0.8 0.9 1.0 0.8 1.0 0.7 2.8 0.9 1.1 1.8 2.3 2.5 2.3
[1] 1gxa.a 1.1 0.7 0.7
0
0.8 1.3 1.1 1.0 1.0 0.8 0.9 0.6 0.8 0.9 0.8 1.0 1.0 1.0 1.0 0.8 2.5 0.9 1.1 1.6 2.2 2.4 2.2
[1] 2gj5.a 0.7 0.8 0.8 0.8
0
1.2 0.7 0.7 0.8 0.9 0.6 0.5 0.8 0.6 0.4 0.7 0.9 0.6 0.6 0.4 2.4 0.6 0.8 1.6 2.3 2.5 2.3
[1] 2r56.a 1.4 1.2 1.4 1.3 1.2
0
1.4 1.5 1.2 1.0 1.3 1.2 0.9 1.2 1.0 1.2 1.4 1.3 1.3 1.1 1.9 1.3 1.4 1.5 2.0 2.1 1.9
[1] 3nq3.a 0.7 0.9 0.9 1.1 0.7 1.4
0
0.7 0.7 1.0 0.6 0.8 1.1 0.5 0.6 0.9 0.8 0.5 0.7 0.5 2.6 0.7 0.9 1.8 2.6 2.7 2.6
[1] 3nq9.a 0.7 0.9 0.9 1.0 0.7 1.5 0.7
0
0.8 1.0 0.8 0.6 1.0 0.6 0.6 0.7 0.7 0.5 0.6 0.5 2.8 0.6 0.7 1.8 2.5 2.7 2.6
[1] 3ueu.a 0.8 0.9 0.9 1.0 0.8 1.2 0.7 0.8
0
1.1 0.8 0.6 1.2 0.7 0.8 0.8 0.8 0.8 0.7 0.7 1.8 0.8 0.8 1.7 2.4 2.5 2.4
[1] 3uex.a 0.9 0.8 0.9 0.8 0.9 1.0 1.0 1.0 1.1
0
0.9 0.7 0.7 0.9 0.8 0.9 0.9 1.0 0.9 0.9 1.6 0.8 0.9 1.8 2.3 2.5 2.4
[1] 4dq3.a 0.7 0.8 0.9 0.9 0.6 1.3 0.6 0.8 0.8 0.9
0
0.6 1.0 0.5 0.5 0.8 0.8 0.5 0.7 0.4 2.5 0.7 0.9 1.6 2.3 2.5 2.3
[1] 4dq4.a 0.7 0.6 0.6 0.6 0.5 1.2 0.8 0.6 0.6 0.7 0.6
0
0.7 0.5 0.4 0.6 0.7 0.5 0.7 0.3 2.4 0.6 0.8 1.2 1.6 1.7 1.6
[1] 4gny.a 1.1 0.9 1.0 0.8 0.8 0.9 1.1 1.0 1.2 0.7 1.0 0.7
0
1.0 0.7 0.9 1.1 1.0 0.9 0.9 2.0 0.9 1.0 1.6 2.3 2.5 2.4
[1] 4ib6.a 0.5 0.8 0.8 0.9 0.6 1.2 0.5 0.6 0.7 0.9 0.5 0.5 1.0
0
0.5 0.6 0.6 0.4 0.4 0.4 2.3 0.5 0.7 1.7 2.4 2.5 2.4
[1] 4ib7.a 0.7 0.7 0.8 0.8 0.4 1.0 0.6 0.6 0.8 0.8 0.5 0.4 0.7 0.5
0
0.5 0.8 0.6 0.5 0.4 1.6 0.6 0.6 1.6 2.3 2.5 2.4
[1] 4ib8.a 0.8 0.8 0.9 1.0 0.7 1.2 0.9 0.7 0.8 0.9 0.8 0.6 0.9 0.6 0.5
0
0.8 0.5 0.5 0.4 2.2 0.6 0.7 1.7 2.4 2.5 2.4
[1] 4ib9.a 0.7 0.9 1.0 1.0 0.9 1.4 0.8 0.7 0.8 0.9 0.8 0.7 1.1 0.6 0.8 0.8
0
0.7 0.7 0.7 2.7 0.7 0.7 1.9 2.4 2.6 2.5
[1] 4kii.a 0.6 0.8 0.8 1.0 0.6 1.3 0.5 0.5 0.8 1.0 0.5 0.5 1.0 0.4 0.6 0.5 0.7
0
0.5 0.4 2.0 0.6 0.7 1.8 2.5 2.7 2.6
[1] 4y0p.a 0.7 0.8 1.0 1.0 0.6 1.3 0.7 0.6 0.7 0.9 0.7 0.7 0.9 0.4 0.5 0.5 0.7 0.5
0
0.4 2.6 0.6 0.7 1.7 2.4 2.5 2.4
[1] 4y0q.a 0.6 0.7 0.7 0.8 0.4 1.1 0.5 0.5 0.7 0.9 0.4 0.3 0.9 0.4 0.4 0.4 0.7 0.4 0.4
0
1.8 0.5 0.6 1.6 2.4 2.5 2.4
[1] 5eed.a 2.7 2.6 2.8 2.5 2.4 1.9 2.6 2.8 1.8 1.6 2.5 2.4 2.0 2.3 1.6 2.2 2.7 2.0 2.6 1.8
0
2.6 2.6 1.7 2.6 2.7 2.5
[1] 5io6.a 0.6 0.8 0.9 0.9 0.6 1.3 0.7 0.6 0.8 0.8 0.7 0.6 0.9 0.5 0.6 0.6 0.7 0.6 0.6 0.5 2.6
0
0.7 1.7 2.4 2.5 2.4
[1] 5io7.a 0.7 1.0 1.1 1.1 0.8 1.4 0.9 0.7 0.8 0.9 0.9 0.8 1.0 0.7 0.6 0.7 0.7 0.7 0.7 0.6 2.6 0.7
0
1.7 2.4 2.5 2.4
[1] 5k06.a 1.8 1.8 1.8 1.6 1.6 1.5 1.8 1.8 1.7 1.8 1.6 1.2 1.6 1.7 1.6 1.7 1.9 1.8 1.7 1.6 1.7 1.7 1.7
0
2.0 2.2 2.0
[2] 1yup.a 2.3 2.2 2.3 2.2 2.3 2.0 2.6 2.5 2.4 2.3 2.3 1.6 2.3 2.4 2.3 2.4 2.4 2.5 2.4 2.4 2.6 2.4 2.4 2.0
0
0.6 0.5
[2] 2akq.a 2.5 2.4 2.5 2.4 2.5 2.1 2.7 2.7 2.5 2.5 2.5 1.7 2.5 2.5 2.5 2.5 2.6 2.7 2.5 2.5 2.7 2.5 2.5 2.2 0.6
0
0.6
[2] 4ck4.b 2.4 2.3 2.3 2.2 2.3 1.9 2.6 2.6 2.4 2.4 2.3 1.6 2.4 2.4 2.4 2.4 2.5 2.6 2.4 2.4 2.5 2.4 2.4 2.0 0.5 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.9 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
1bso.a
1gx8.a
1gx9.a
1gxa.a
2gj5.a
2r56.a
3nq3.a
3nq9.a
3ueu.a
3uex.a
4dq3.a
4dq4.a
4gny.a
4ib6.a
4ib7.a
4ib8.a
4ib9.a
4kii.a
4y0p.a
4y0q.a
5eed.a
5io6.a
5io7.a
5k06.a
1yup.a
2akq.a
4ck4.b
[1] 1bso.a
0
1.3 1.4 1.5 1.2 1.7 1.2 1.1 1.6 1.5 1.2 1.2 1.6 1.1 1.4 1.2 1.3 1.1 1.2 1.2 3.1 1.1 1.2 2.0 3.0 3.1 3.0
[1] 1gx8.a 1.3
0
0.8 1.1 1.0 1.8 1.2 1.3 1.6 1.4 1.3 1.0 1.4 1.3 1.3 1.2 1.4 1.2 1.3 1.3 3.0 1.2 1.4 2.1 3.0 3.1 3.0
[1] 1gx9.a 1.4 0.8
0
1.0 1.1 1.9 1.2 1.4 1.7 1.5 1.4 1.0 1.5 1.3 1.4 1.3 1.5 1.4 1.4 1.3 3.1 1.3 1.6 2.2 3.0 3.1 3.0
[1] 1gxa.a 1.5 1.1 1.0
0
1.3 1.7 1.3 1.4 1.8 1.3 1.5 1.0 1.4 1.5 1.4 1.4 1.5 1.5 1.4 1.3 2.9 1.4 1.5 2.1 3.0 3.2 3.0
[1] 2gj5.a 1.2 1.0 1.1 1.3
0
1.7 1.2 1.2 1.5 1.4 1.3 1.0 1.3 1.1 1.1 1.1 1.4 1.2 1.3 1.2 2.9 1.0 1.3 2.1 3.1 3.2 3.0
[1] 2r56.a 1.7 1.8 1.9 1.7 1.7
0
1.8 1.7 1.9 1.5 1.8 1.6 1.4 1.7 1.5 1.6 1.6 1.8 1.7 1.5 2.4 1.7 1.6 1.7 2.9 3.0 2.9
[1] 3nq3.a 1.2 1.2 1.2 1.3 1.2 1.8
0
1.1 1.6 1.3 1.2 1.0 1.5 1.2 1.3 1.3 1.2 1.3 1.2 1.2 3.0 1.2 1.4 2.1 3.1 3.2 3.1
[1] 3nq9.a 1.1 1.3 1.4 1.4 1.2 1.7 1.1
0
1.5 1.3 1.1 1.0 1.2 1.0 1.1 1.0 1.0 1.0 0.9 0.9 3.0 1.0 0.9 2.0 3.3 3.4 3.2
[1] 3ueu.a 1.6 1.6 1.7 1.8 1.5 1.9 1.6 1.5
0
1.4 1.4 1.4 1.5 1.4 1.2 1.4 1.4 1.5 1.3 1.3 2.4 1.5 1.4 2.1 3.1 3.2 3.1
[1] 3uex.a 1.5 1.4 1.5 1.3 1.4 1.5 1.3 1.3 1.4
0
1.3 1.2 1.1 1.4 1.1 1.3 1.2 1.5 1.1 1.3 2.2 1.4 1.2 2.1 3.1 3.2 3.1
[1] 4dq3.a 1.2 1.3 1.4 1.5 1.3 1.8 1.2 1.1 1.4 1.3
0
1.0 1.3 1.0 1.1 1.1 1.2 1.1 1.0 0.8 2.9 1.2 1.2 2.0 3.2 3.3 3.2
[1] 4dq4.a 1.2 1.0 1.0 1.0 1.0 1.6 1.0 1.0 1.4 1.2 1.0
0
1.2 1.1 1.2 1.0 1.2 1.2 1.1 0.9 2.5 1.1 1.2 1.7 2.4 2.4 2.4
[1] 4gny.a 1.6 1.4 1.5 1.4 1.3 1.4 1.5 1.2 1.5 1.1 1.3 1.2
0
1.4 1.1 1.2 1.2 1.4 1.2 1.1 2.4 1.4 1.1 1.9 3.1 3.2 3.1
[1] 4ib6.a 1.1 1.3 1.3 1.5 1.1 1.7 1.2 1.0 1.4 1.4 1.0 1.1 1.4
0
1.0 0.9 1.1 0.8 0.9 1.0 2.8 1.0 1.1 2.1 3.1 3.2 3.1
[1] 4ib7.a 1.4 1.3 1.4 1.4 1.1 1.5 1.3 1.1 1.2 1.1 1.1 1.2 1.1 1.0
0
0.9 1.1 1.1 0.9 1.0 2.2 1.1 1.0 2.1 3.2 3.2 3.2
[1] 4ib8.a 1.2 1.2 1.3 1.4 1.1 1.6 1.3 1.0 1.4 1.3 1.1 1.0 1.2 0.9 0.9
0
1.1 0.8 0.9 0.8 2.7 0.9 1.0 2.0 3.2 3.2 3.2
[1] 4ib9.a 1.3 1.4 1.5 1.5 1.4 1.6 1.2 1.0 1.4 1.2 1.2 1.2 1.2 1.1 1.1 1.1
0
1.2 1.0 1.1 2.8 1.3 1.0 2.0 3.0 3.1 3.1
[1] 4kii.a 1.1 1.2 1.4 1.5 1.2 1.8 1.3 1.0 1.5 1.5 1.1 1.2 1.4 0.8 1.1 0.8 1.2
0
1.1 0.9 2.6 1.0 1.1 2.1 3.3 3.4 3.3
[1] 4y0p.a 1.2 1.3 1.4 1.4 1.3 1.7 1.2 0.9 1.3 1.1 1.0 1.1 1.2 0.9 0.9 0.9 1.0 1.1
0
1.0 3.0 1.2 0.9 2.0 3.1 3.1 3.0
[1] 4y0q.a 1.2 1.3 1.3 1.3 1.2 1.5 1.2 0.9 1.3 1.3 0.8 0.9 1.1 1.0 1.0 0.8 1.1 0.9 1.0
0
2.2 1.0 0.9 1.9 3.1 3.2 3.1
[1] 5eed.a 3.1 3.0 3.1 2.9 2.9 2.4 3.0 3.0 2.4 2.2 2.9 2.5 2.4 2.8 2.2 2.7 2.8 2.6 3.0 2.2
0
3.0 2.9 2.2 3.2 3.2 3.1
[1] 5io6.a 1.1 1.2 1.3 1.4 1.0 1.7 1.2 1.0 1.5 1.4 1.2 1.1 1.4 1.0 1.1 0.9 1.3 1.0 1.2 1.0 3.0
0
1.2 2.1 3.1 3.2 3.1
[1] 5io7.a 1.2 1.4 1.6 1.5 1.3 1.6 1.4 0.9 1.4 1.2 1.2 1.2 1.1 1.1 1.0 1.0 1.0 1.1 0.9 0.9 2.9 1.2
0
2.0 3.2 3.2 3.1
[1] 5k06.a 2.0 2.1 2.2 2.1 2.1 1.7 2.1 2.0 2.1 2.1 2.0 1.7 1.9 2.1 2.1 2.0 2.0 2.1 2.0 1.9 2.2 2.1 2.0
0
2.8 2.9 2.8
[2] 1yup.a 3.0 3.0 3.0 3.0 3.1 2.9 3.1 3.3 3.1 3.1 3.2 2.4 3.1 3.1 3.2 3.2 3.0 3.3 3.1 3.1 3.2 3.1 3.2 2.8
0
0.8 0.8
[2] 2akq.a 3.1 3.1 3.1 3.2 3.2 3.0 3.2 3.4 3.2 3.2 3.3 2.4 3.2 3.2 3.2 3.2 3.1 3.4 3.1 3.2 3.2 3.2 3.2 2.9 0.8
0
0.8
[2] 4ck4.b 3.0 3.0 3.0 3.0 3.0 2.9 3.1 3.2 3.1 3.1 3.2 2.4 3.1 3.1 3.2 3.2 3.1 3.3 3.0 3.1 3.1 3.1 3.1 2.8 0.8 0.8
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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