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5EAS_TOBAC_2_548

5-epi-aristolochene synthase [Terpene synthase family]

Composition of the binding site

Protein chains monomer
A1 (5EAS_TOBAC):264, 266, 269, 270, 272, 273, 294, 297, 298, 301, 302, 305, 376, 379, 401:404, 407, 440, 441, 444, 448, 452, 457, 515, 516, 519, 520, 525:531, 534264, 266, 269, 270, 272, 273, 294, 297, 298, 301, 302, 305, 376, 379, 401:404, 407, 440, 441, 444, 448, 452, 457, 515, 516, 519, 520, 525:531, 534
Metals (Me):Ca/Mg

Full PDB list

1hx9, 1hxa, 1hxc, 1hxg, 3lz9, 3m00, 3m01, 3m02, 4di5, 4rnq, 5dhi, 5dhk, 5eas, 5eat, 5eau, 5ik0, 5ik6, 5ik9, 5ika, 5ikh, 5il3, 5il8, 5ild, 5ilh, 5ili, 5ilj, 5ilk, 5ily, 5ilz, 5im1 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
R
2
6
4
R
2
6
6
E
2
6
9
C
2
7
0
F
2
7
2
W
2
7
3
I
2
9
4
I
2
9
7
S
2
9
8
D
3
0
1
D
3
0
5
Y
3
7
6
E
3
7
9
T
4
0
1
T
4
0
2
T
4
0
3
Y
4
0
4
L
4
0
7
C
4
4
0
R
4
4
1
D
4
4
4
T
4
4
8
E
4
5
2
Q
4
5
7
I
5
1
5
V
5
1
6
T
5
1
9
Y
5
2
0
D
5
2
5
Y
5
2
7
T
5
2
8
P
5
3
0
E
5
3
1
L
5
3
4
[1]1hx9.a fhp20 . . . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]1hxa.a fhp,mg21 . . . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]1hxg.a none . . . . . S . . . . . . . . . . . . W . . . . . . . . . . . . . . . Mg
[1]4di5.a 1ga,dpo26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]4rnq.a 1ga,a4s,dpo52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5dhi.a none . . . . . E . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5dhk.a far,mg16 . . . . . E . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5eat.a fhp,mg21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5ik0.a fpp,mg25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5ik6.a cre,dpo,mg25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5ik9.a fjp,mg21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5ika.a dpo9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5il8.a 6bx,6by28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Ca
[1]5ili.a 3cx,3fx30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5ilj.a btb14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ilk.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ily.a btb,dpo23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[1]5ilz.a b3p19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]1hxc.a fhp20 . . . . . . . . . . . . . . . . . . W . . . . . . . . . - - - - - .
[2]3lz9.a fpf,mg26 . . . . . . . . . . . . . . . . . . . . . . . . . I . . - - - - . . Mg
[2]3m00.a 2cf,mg26 . . . . . . . . . . . . . . . . . . . . . . . . . I . . - - - . . . Mg
[2]3m01.a fpf25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - . . . . Mg
[2]3m02.a 2cf,mg26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[2]5eau.a fff27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - - . . . Mg
[2]5ikh.a 6bw15 . . . . . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . Mg

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 Me
R
2
6
4
R
2
6
6
E
2
6
9
C
2
7
0
F
2
7
2
W
2
7
3
I
2
9
4
I
2
9
7
S
2
9
8
D
3
0
1
D
3
0
2
D
3
0
5
Y
3
7
6
E
3
7
9
T
4
0
1
T
4
0
2
T
4
0
3
Y
4
0
4
L
4
0
7
C
4
4
0
R
4
4
1
D
4
4
4
T
4
4
8
E
4
5
2
Q
4
5
7
I
5
1
5
V
5
1
6
T
5
1
9
Y
5
2
0
D
5
2
5
G
5
2
6
Y
5
2
7
T
5
2
8
H
5
2
9
P
5
3
0
E
5
3
1
L
5
3
4
[1]1hx9.a * . . . . S . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]1hxa.a . * . . . S . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]1hxg.a . . . . . S . . . . . . . . . . . . . W . . . . . . . . * . . * . . . . . Mg
[1]4di5.a * . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]4rnq.a * . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5dhi.a . . . . . E . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5dhk.a . . . . . E . . . . . . . . . . . . . . . * . . . . . . . . . * . . . . . Mg
[1]5eat.a * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5ik0.a * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5ik6.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5ik9.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5ika.a * . . . . * . . . * . . . * . . . . . . . . . . . . . . * . . * . . . . . Mg
[1]5il8.a * . . . . * . . . . . . . . . . . . . . . . . . . . . . * . . * . . . . . Ca
[1]5ili.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . Mg
[1]5ilj.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . .
[1]5ilk.a * . . . . * . . . . . . . . . . . . . . . . . . . . . . * . . * . . . . .
[1]5ily.a * . . . . * . . . * . . . . . . . . . . . . . . . . . . * . . * . . . . . Mg
[1]5ilz.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . .
[2]1hxc.a . . . . . * . . . . . . . . . . . . . W . . . . . . . . . - - - - - - - .
[2]3lz9.a . . . . . * . . . . . . . . . . . . . . . . . . . . I . . - - - - - - . . Mg
[2]3m00.a . . . . . * . . . . . . . . . . . . . . . . . . . . I . . - - - - . . . . Mg
[2]3m01.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . - - - . . . . . Mg
[2]3m02.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Mg
[2]5eau.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . - - - - . . . . Mg
[2]5ikh.a . . . . . * . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . Mg

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
1hx9.a:fhp
1hxa.a:fhp,mg
1hxg.a is apo
4di5.a:1ga,dpo
4rnq.a:1ga,a4s,dpo
5dhi.a is apo
5dhk.a:far,mg
5eat.a:fhp,mg
5ik0.a:fpp,mg
5ik6.a:cre,dpo,mg
5ik9.a:fjp,mg
5ika.a:dpo
5il8.a:6bx,6by
5ili.a:3cx,3fx
5ilj.a:btb
5ilk.a is apo
5ily.a:btb,dpo
5ilz.a:b3p
1hxc.a:fhp
3lz9.a:fpf,mg
3m00.a:2cf,mg
3m01.a:fpf
3m02.a:2cf,mg
5eau.a:fff
5ikh.a:6bw
[1] 1hx9.a
0.4
0.5 - 0.5 0.6 - 1.3 0.8 0.5 1.2 1.1 0 0.7 0.1 0.2 - 0.4 0.8 5.8 1.0 1.7 1.4 1.3 1.0 5.6
[1] 1hxa.a 2.1
0.2
- 2.5 2.5 - 0.7 3.6 2.4 1.4 0.7 0.8 3.1 0.1 2.1 - 3.7 1.3 3.9 2.1 4.5 3.2 3.2 3.4 3.2
[1] 1hxg.a 0.8 3.3
-
1.5 2.0 - 2.3 2.7 2.4 3.2 3.4 0.1 0.2 2.8 0.7 - 1.2 2.5 5.5 2.6 5.1 3.5 4.4 1.3 6.0
[1] 4di5.a 1.3 4.4 -
0.1
0 - 2.3 0.3 0.5 0.1 0.6 0 0 1.5 0.1 - 0.1 0.3 5.5 1.1 2.0 1.0 1.4 2.8 5.9
[1] 4rnq.a 1.1 4.3 - 0.1
0
- 2.2 0.4 0.7 0.3 0.8 0 0 1.6 0.1 - 0.2 0 5.5 0.9 2.6 1.2 1.6 2.5 5.7
[1] 5dhi.a 0.3 1.8 - 0.3 0.3
-
1.7 0.2 0.2 0.1 0.2 0 0 0.3 0 - 0 0.3 5.2 1.1 1.1 0.7 0.9 0.9 6.0
[1] 5dhk.a 0.5 2.3 - 0.2 0 -
0.3
0 0.2 0.2 0.7 0 0 0.4 0.1 - 0 0 5.2 0.9 2.1 0.9 1.8 0.7 5.6
[1] 5eat.a 1.1 4.1 - 0.2 0 - 2.6
0
0.1 0.1 0.2 0 0 1.4 0 - 0 0.1 5.4 0.9 1.3 0.4 1.0 2.2 6.5
[1] 5ik0.a 1.4 3.8 - 0.2 0.1 - 2.7 0.1
0
0.1 0.1 0 0 1.8 0 - 0.1 0 4.8 1.0 1.7 0.5 1.1 2.5 5.5
[1] 5ik6.a 1.9 4.2 - 0.5 0.3 - 3.2 0.4 0.3
0.1
0.3 0 0 1.8 0 - 0.1 0.1 4.8 1.2 2.0 0.9 1.0 3.0 5.6
[1] 5ik9.a 0.7 4.0 - 0.2 0.1 - 2.7 0.1 0.1 0.2
0.2
0 0 1.3 0 - 0 0 5.0 0.7 1.1 0.4 0.6 2.1 6.1
[1] 5ika.a 2.3 4.0 - 1.6 1.6 - 3.5 1.7 2.3 1.1 1.6
0
0.1 2.8 0.7 - 0.3 0.6 6.6 3.6 3.2 3.1 2.0 4.0 7.3
[1] 5il8.a 1.6 4.1 - 0.4 0.2 - 3.7 0.3 0.6 0.2 0.4 0
0
1.9 0 - 0.1 0.1 5.5 1.3 2.0 1.8 1.1 3.2 6.3
[1] 5ili.a 1.8 4.1 - 2.4 2.4 - 1.4 4.0 2.1 1.6 1.0 0.5 2.9
0
2.2 - 3.4 1.5 3.1 1.8 4.3 3.3 2.8 3.4 2.8
[1] 5ilj.a 2.1 4.3 - 0.5 0.3 - 3.3 0.3 0.5 0 0.2 0 0 2.4
0
- 0.1 0.1 5.3 1.0 1.6 1.7 1.2 3.3 6.4
[1] 5ilk.a 1.2 4.0 - 0.4 0.1 - 3.1 0.1 0.5 0.2 0.4 0 0 1.4 0
-
0.1 0.3 5.0 1.2 2.0 1.2 1.2 2.9 6.0
[1] 5ily.a 1.9 4.2 - 0.5 0.5 - 3.7 0.5 0.8 0.2 1.0 0.1 0.1 2.4 0.1 -
0
0.5 4.9 2.1 2.9 2.1 2.2 4.1 5.8
[1] 5ilz.a 1.5 3.6 - 0.3 0.2 - 3.4 0.2 0.3 0.1 0.7 0 0 1.9 0 - 0.1
0
4.9 1.2 1.3 0.9 1.1 2.6 6.4
[2] 1hxc.a 1.3 6.2 - 1.2 2.0 - 4.7 2.7 2.0 3.1 2.9 0.1 0 4.1 0.5 - 0.8 2.3
0.9
2.1 4.7 2.7 4.2 3.3 0.3
[2] 3lz9.a 0.8 3.2 - 0.1 0.1 - 2.4 0.2 0.2 0.2 0.8 0 0 1.4 0.1 - 0 0.3 1.5
0.2
0.5 0.1 0.4 1.5 0
[2] 3m00.a 1.0 3.4 - 0.1 0.1 - 2.5 0.1 0.2 0.3 0.5 0 0.1 1.4 0.1 - 0.1 0.3 1.5 0.4
0.1
0.2 0.4 1.5 0
[2] 3m01.a 0.7 3.9 - 0.1 0 - 2.6 0 0 0.1 0.2 0 0 1.4 0 - 0 0.1 1.4 0.2 0.5
0
0.1 1.4 0.1
[2] 3m02.a 0.7 4.1 - 0.2 0 - 2.5 0.1 0 0.1 0.1 0 0 1.5 0 - 0 0.1 1.4 0.2 0.6 0.2
0.1
1.6 0.3
[2] 5eau.a 0 4.0 - 0.1 0 - 0.9 0.1 0.1 0.6 0.7 0 0 0.4 0 - 0 0.1 2.8 0.6 0.5 0.2 0.5
0
2.6
[2] 5ikh.a 1.0 3.3 - 0.1 0.1 - 1.7 0.1 0.1 0.2 0.2 0 0 0.9 0 - 0.2 0.6 1.5 0.2 0.5 0.2 0.4 1.4
0
[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
1hx9.a
1hxa.a
1hxg.a
4di5.a
4rnq.a
5dhi.a
5dhk.a
5eat.a
5ik0.a
5ik6.a
5ik9.a
5ika.a
5il8.a
5ili.a
5ilj.a
5ilk.a
5ily.a
5ilz.a
1hxc.a
3lz9.a
3m00.a
3m01.a
3m02.a
5eau.a
5ikh.a
[1] 1hx9.a
0
.14 .14 .14 .14 .07 .11 .13 .11 .12 .14 .16 .13 .17 .14 .13 .15 .13 .35 .28 .30 .29 .28 .30 .28
[1] 1hxa.a .14
0
.26 .27 .27 .19 .23 .27 .25 .25 .25 .29 .27 .21 .27 .26 .28 .25 .39 .31 .33 .33 .32 .33 .31
[1] 1hxg.a .14 .26
0
.25 .25 .18 .19 .24 .23 .25 .23 .27 .22 .28 .23 .22 .26 .21 .28 .39 .41 .41 .40 .41 .40
[1] 4di5.a .14 .27 .25
0
.02 .13 .11 .08 .06 .08 .08 .07 .06 .13 .07 .06 .06 .09 .32 .26 .27 .24 .25 .24 .28
[1] 4rnq.a .14 .27 .25 .02
0
.12 .11 .08 .05 .08 .09 .05 .06 .12 .08 .06 .04 .09 .31 .27 .28 .24 .24 .23 .28
[1] 5dhi.a .07 .19 .18 .13 .12
0
.06 .11 .09 .09 .09 .15 .11 .11 .12 .10 .14 .09 .31 .24 .24 .24 .23 .25 .23
[1] 5dhk.a .11 .23 .19 .11 .11 .06
0
.14 .11 .14 .12 .14 .10 .16 .13 .11 .11 .10 .35 .27 .28 .29 .29 .29 .26
[1] 5eat.a .13 .27 .24 .08 .08 .11 .14
0
.05 .05 .04 .11 .05 .10 .04 .05 .10 .05 .31 .27 .27 .22 .21 .23 .29
[1] 5ik0.a .11 .25 .23 .06 .05 .09 .11 .05
0
.04 .05 .08 .05 .08 .05 .04 .07 .05 .27 .24 .24 .19 .20 .20 .26
[1] 5ik6.a .12 .25 .25 .08 .08 .09 .14 .05 .04
0
.05 .10 .06 .07 .04 .05 .08 .07 .28 .25 .25 .19 .18 .21 .26
[1] 5ik9.a .14 .25 .23 .08 .09 .09 .12 .04 .05 .05
0
.11 .05 .07 .05 .06 .11 .05 .30 .23 .24 .19 .18 .19 .26
[1] 5ika.a .16 .29 .27 .07 .05 .15 .14 .11 .08 .10 .11
0
.07 .15 .09 .09 .06 .12 .34 .29 .31 .27 .26 .25 .32
[1] 5il8.a .13 .27 .22 .06 .06 .11 .10 .05 .05 .06 .05 .07
0
.10 .04 .03 .06 .06 .31 .27 .28 .23 .22 .23 .29
[1] 5ili.a .17 .21 .28 .13 .12 .11 .16 .10 .08 .07 .07 .15 .10
0
.11 .09 .12 .10 .24 .19 .19 .14 .13 .15 .21
[1] 5ilj.a .14 .27 .23 .07 .08 .12 .13 .04 .05 .04 .05 .09 .04 .11
0
.05 .09 .07 .32 .28 .28 .23 .21 .24 .30
[1] 5ilk.a .13 .26 .22 .06 .06 .10 .11 .05 .04 .05 .06 .09 .03 .09 .05
0
.06 .06 .30 .26 .27 .22 .22 .23 .28
[1] 5ily.a .15 .28 .26 .06 .04 .14 .11 .10 .07 .08 .11 .06 .06 .12 .09 .06
0
.10 .31 .28 .28 .25 .24 .24 .29
[1] 5ilz.a .13 .25 .21 .09 .09 .09 .10 .05 .05 .07 .05 .12 .06 .10 .07 .06 .10
0
.28 .25 .25 .22 .22 .23 .26
[2] 1hxc.a .35 .39 .28 .32 .31 .31 .35 .31 .27 .28 .30 .34 .31 .24 .32 .30 .31 .28
0
.19 .18 .16 .16 .17 .20
[2] 3lz9.a .28 .31 .39 .26 .27 .24 .27 .27 .24 .25 .23 .29 .27 .19 .28 .26 .28 .25 .19
0
.03 .06 .07 .06 .05
[2] 3m00.a .30 .33 .41 .27 .28 .24 .28 .27 .24 .25 .24 .31 .28 .19 .28 .27 .28 .25 .18 .03
0
.06 .08 .07 .05
[2] 3m01.a .29 .33 .41 .24 .24 .24 .29 .22 .19 .19 .19 .27 .23 .14 .23 .22 .25 .22 .16 .06 .06
0
.02 .02 .08
[2] 3m02.a .28 .32 .40 .25 .24 .23 .29 .21 .20 .18 .18 .26 .22 .13 .21 .22 .24 .22 .16 .07 .08 .02
0
.04 .09
[2] 5eau.a .30 .33 .41 .24 .23 .25 .29 .23 .20 .21 .19 .25 .23 .15 .24 .23 .24 .23 .17 .06 .07 .02 .04
0
.09
[2] 5ikh.a .28 .31 .40 .28 .28 .23 .26 .29 .26 .26 .26 .32 .29 .21 .30 .28 .29 .26 .20 .05 .05 .08 .09 .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.1 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
1hx9.a
1hxa.a
1hxg.a
4di5.a
4rnq.a
5dhi.a
5dhk.a
5eat.a
5ik0.a
5ik6.a
5ik9.a
5ika.a
5il8.a
5ili.a
5ilj.a
5ilk.a
5ily.a
5ilz.a
1hxc.a
3lz9.a
3m00.a
3m01.a
3m02.a
5eau.a
5ikh.a
[1] 1hx9.a
0
0.8 0.6 0.6 0.6 0.4 0.6 0.4 0.6 0.5 0.5 0.8 0.5 0.7 0.5 0.5 1.0 0.5 0.4 1.2 1.1 1.8 2.4 1.3 2.2
[1] 1hxa.a 0.8
0
1.0 0.9 0.9 0.7 1.0 0.9 0.8 0.8 0.7 0.9 0.9 0.4 0.9 0.9 1.2 1.0 0.5 1.2 1.1 1.5 1.9 1.2 1.9
[1] 1hxg.a 0.6 1.0
0
0.5 0.5 0.6 0.4 0.5 0.5 0.5 0.6 0.7 0.4 0.8 0.5 0.4 1.0 0.4 0.5 1.4 1.3 1.9 2.4 1.4 2.3
[1] 4di5.a 0.6 0.9 0.5
0
0.2 0.5 0.3 0.5 0.4 0.3 0.5 0.4 0.3 0.8 0.3 0.3 0.7 0.5 0.5 1.3 1.3 1.9 2.3 1.4 2.1
[1] 4rnq.a 0.6 0.9 0.5 0.2
0
0.5 0.4 0.5 0.5 0.3 0.5 0.4 0.4 0.8 0.3 0.4 0.7 0.6 0.5 1.3 1.3 1.9 2.3 1.4 2.1
[1] 5dhi.a 0.4 0.7 0.6 0.5 0.5
0
0.5 0.3 0.3 0.2 0.2 0.6 0.3 0.6 0.3 0.3 0.9 0.5 0.4 1.2 1.2 1.8 2.2 1.3 2.1
[1] 5dhk.a 0.6 1.0 0.4 0.3 0.4 0.5
0
0.5 0.4 0.4 0.5 0.6 0.3 0.8 0.3 0.3 0.9 0.4 0.5 1.3 1.3 1.9 2.3 1.4 2.2
[1] 5eat.a 0.4 0.9 0.5 0.5 0.5 0.3 0.5
0
0.5 0.4 0.4 0.7 0.3 0.7 0.3 0.4 1.0 0.4 0.3 1.2 1.2 1.8 2.3 1.4 2.2
[1] 5ik0.a 0.6 0.8 0.5 0.4 0.5 0.3 0.4 0.5
0
0.3 0.3 0.6 0.3 0.6 0.4 0.4 0.9 0.5 0.4 1.2 1.2 1.8 2.2 1.4 2.1
[1] 5ik6.a 0.5 0.8 0.5 0.3 0.3 0.2 0.4 0.4 0.3
0
0.3 0.5 0.2 0.6 0.2 0.2 0.8 0.5 0.4 1.2 1.2 1.8 2.2 1.4 2.1
[1] 5ik9.a 0.5 0.7 0.6 0.5 0.5 0.2 0.5 0.4 0.3 0.3
0
0.7 0.4 0.5 0.3 0.4 0.9 0.5 0.4 1.1 1.1 1.8 2.2 1.3 2.2
[1] 5ika.a 0.8 0.9 0.7 0.4 0.4 0.6 0.6 0.7 0.6 0.5 0.7
0
0.6 0.8 0.5 0.5 0.5 0.8 0.7 1.4 1.4 1.9 2.3 1.5 2.2
[1] 5il8.a 0.5 0.9 0.4 0.3 0.4 0.3 0.3 0.3 0.3 0.2 0.4 0.6
0
0.7 0.2 0.2 0.9 0.3 0.4 1.3 1.2 1.9 2.3 1.4 2.2
[1] 5ili.a 0.7 0.4 0.8 0.8 0.8 0.6 0.8 0.7 0.6 0.6 0.5 0.8 0.7
0
0.7 0.7 1.1 0.8 0.4 1.1 1.1 1.7 1.9 1.3 2.0
[1] 5ilj.a 0.5 0.9 0.5 0.3 0.3 0.3 0.3 0.3 0.4 0.2 0.3 0.5 0.2 0.7
0
0.2 0.8 0.4 0.4 1.3 1.2 1.9 2.3 1.4 2.2
[1] 5ilk.a 0.5 0.9 0.4 0.3 0.4 0.3 0.3 0.4 0.4 0.2 0.4 0.5 0.2 0.7 0.2
0
0.8 0.4 0.4 1.3 1.2 1.9 2.3 1.4 2.2
[1] 5ily.a 1.0 1.2 1.0 0.7 0.7 0.9 0.9 1.0 0.9 0.8 0.9 0.5 0.9 1.1 0.8 0.8
0
1.1 1.0 1.6 1.6 2.0 2.4 1.7 2.3
[1] 5ilz.a 0.5 1.0 0.4 0.5 0.6 0.5 0.4 0.4 0.5 0.5 0.5 0.8 0.3 0.8 0.4 0.4 1.1
0
0.4 1.3 1.2 1.9 2.4 1.4 2.3
[2] 1hxc.a 0.4 0.5 0.5 0.5 0.5 0.4 0.5 0.3 0.4 0.4 0.4 0.7 0.4 0.4 0.4 0.4 1.0 0.4
0
0.5 0.5 0.5 0.4 0.4 0.5
[2] 3lz9.a 1.2 1.2 1.4 1.3 1.3 1.2 1.3 1.2 1.2 1.2 1.1 1.4 1.3 1.1 1.3 1.3 1.6 1.3 0.5
0
0.8 0.9 1.1 0.8 0.9
[2] 3m00.a 1.1 1.1 1.3 1.3 1.3 1.2 1.3 1.2 1.2 1.2 1.1 1.4 1.2 1.1 1.2 1.2 1.6 1.2 0.5 0.8
0
0.6 1.0 0.8 0.7
[2] 3m01.a 1.8 1.5 1.9 1.9 1.9 1.8 1.9 1.8 1.8 1.8 1.8 1.9 1.9 1.7 1.9 1.9 2.0 1.9 0.5 0.9 0.6
0
1.2 0.6 1.1
[2] 3m02.a 2.4 1.9 2.4 2.3 2.3 2.2 2.3 2.3 2.2 2.2 2.2 2.3 2.3 1.9 2.3 2.3 2.4 2.4 0.4 1.1 1.0 1.2
0
1.2 1.4
[2] 5eau.a 1.3 1.2 1.4 1.4 1.4 1.3 1.4 1.4 1.4 1.4 1.3 1.5 1.4 1.3 1.4 1.4 1.7 1.4 0.4 0.8 0.8 0.6 1.2
0
1.1
[2] 5ikh.a 2.2 1.9 2.3 2.1 2.1 2.1 2.2 2.2 2.1 2.1 2.2 2.2 2.2 2.0 2.2 2.2 2.3 2.3 0.5 0.9 0.7 1.1 1.4 1.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
1hx9.a
1hxa.a
1hxg.a
4di5.a
4rnq.a
5dhi.a
5dhk.a
5eat.a
5ik0.a
5ik6.a
5ik9.a
5ika.a
5il8.a
5ili.a
5ilj.a
5ilk.a
5ily.a
5ilz.a
1hxc.a
3lz9.a
3m00.a
3m01.a
3m02.a
5eau.a
5ikh.a
[1] 1hx9.a
0
1.4 0.9 1.0 0.9 0.9 1.0 0.7 0.9 0.8 0.7 1.0 0.8 1.1 0.8 0.9 1.2 0.9 0.5 1.5 1.6 2.2 2.2 1.9 3.6
[1] 1hxa.a 1.4
0
1.6 1.6 1.5 1.5 1.6 1.6 1.5 1.4 1.4 1.5 1.5 1.0 1.5 1.5 1.7 1.6 1.1 1.8 1.8 2.2 2.0 2.0 3.2
[1] 1hxg.a 0.9 1.6
0
0.9 1.0 0.9 0.9 0.9 0.9 0.8 0.9 1.1 0.8 1.3 0.9 0.8 1.2 0.9 0.7 1.6 1.7 2.2 2.2 1.9 3.6
[1] 4di5.a 1.0 1.6 0.9
0
0.6 0.9 0.6 0.8 0.8 0.8 0.8 0.8 0.6 1.3 0.8 0.6 0.8 0.8 0.9 1.7 1.8 2.3 2.2 2.1 3.4
[1] 4rnq.a 0.9 1.5 1.0 0.6
0
0.9 0.7 0.8 0.9 0.7 0.8 0.8 0.6 1.3 0.7 0.7 0.7 0.8 0.9 1.7 1.8 2.2 2.2 2.1 3.4
[1] 5dhi.a 0.9 1.5 0.9 0.9 0.9
0
0.9 0.8 0.8 0.7 0.8 1.0 0.8 1.1 0.8 0.8 1.1 0.9 0.7 1.3 1.4 2.0 2.1 1.7 3.4
[1] 5dhk.a 1.0 1.6 0.9 0.6 0.7 0.9
0
0.8 0.7 0.6 0.8 0.8 0.6 1.2 0.6 0.6 0.9 0.8 0.8 1.8 1.8 2.3 2.2 2.0 3.5
[1] 5eat.a 0.7 1.6 0.9 0.8 0.8 0.8 0.8
0
0.9 0.8 0.5 0.9 0.6 1.2 0.7 0.7 1.1 0.6 0.7 1.5 1.6 2.2 2.1 2.0 3.5
[1] 5ik0.a 0.9 1.5 0.9 0.8 0.9 0.8 0.7 0.9
0
0.6 0.8 0.8 0.8 1.2 0.7 0.8 1.0 0.9 0.9 1.7 1.8 2.2 2.1 2.0 3.4
[1] 5ik6.a 0.8 1.4 0.8 0.8 0.7 0.7 0.6 0.8 0.6
0
0.7 0.7 0.6 1.1 0.5 0.7 0.9 0.8 0.8 1.7 1.8 2.2 2.1 2.0 3.4
[1] 5ik9.a 0.7 1.4 0.9 0.8 0.8 0.8 0.8 0.5 0.8 0.7
0
0.9 0.6 1.1 0.7 0.7 1.0 0.7 0.7 1.5 1.6 2.2 2.0 1.9 3.4
[1] 5ika.a 1.0 1.5 1.1 0.8 0.8 1.0 0.8 0.9 0.8 0.7 0.9
0
0.8 1.2 0.7 0.9 0.7 1.0 1.1 1.8 1.9 2.3 2.2 2.0 3.5
[1] 5il8.a 0.8 1.5 0.8 0.6 0.6 0.8 0.6 0.6 0.8 0.6 0.6 0.8
0
1.1 0.6 0.5 0.9 0.6 0.7 1.6 1.8 2.2 2.1 2.0 3.5
[1] 5ili.a 1.1 1.0 1.3 1.3 1.3 1.1 1.2 1.2 1.2 1.1 1.1 1.2 1.1
0
1.1 1.2 1.4 1.3 0.9 1.6 1.7 2.1 1.9 1.9 3.1
[1] 5ilj.a 0.8 1.5 0.9 0.8 0.7 0.8 0.6 0.7 0.7 0.5 0.7 0.7 0.6 1.1
0
0.6 1.0 0.8 0.8 1.7 1.8 2.3 2.2 2.0 3.5
[1] 5ilk.a 0.9 1.5 0.8 0.6 0.7 0.8 0.6 0.7 0.8 0.7 0.7 0.9 0.5 1.2 0.6
0
0.9 0.7 0.8 1.6 1.8 2.3 2.1 2.1 3.5
[1] 5ily.a 1.2 1.7 1.2 0.8 0.7 1.1 0.9 1.1 1.0 0.9 1.0 0.7 0.9 1.4 1.0 0.9
0
1.1 1.1 1.9 1.9 2.3 2.2 2.1 3.5
[1] 5ilz.a 0.9 1.6 0.9 0.8 0.8 0.9 0.8 0.6 0.9 0.8 0.7 1.0 0.6 1.3 0.8 0.7 1.1
0
0.7 1.6 1.7 2.2 2.2 2.0 3.6
[2] 1hxc.a 0.5 1.1 0.7 0.9 0.9 0.7 0.8 0.7 0.9 0.8 0.7 1.1 0.7 0.9 0.8 0.8 1.1 0.7
0
0.8 0.8 0.8 0.8 1.0 0.8
[2] 3lz9.a 1.5 1.8 1.6 1.7 1.7 1.3 1.8 1.5 1.7 1.7 1.5 1.8 1.6 1.6 1.7 1.6 1.9 1.6 0.8
0
0.8 0.9 0.9 1.2 1.0
[2] 3m00.a 1.6 1.8 1.7 1.8 1.8 1.4 1.8 1.6 1.8 1.8 1.6 1.9 1.8 1.7 1.8 1.8 1.9 1.7 0.8 0.8
0
0.7 1.4 1.4 1.1
[2] 3m01.a 2.2 2.2 2.2 2.3 2.2 2.0 2.3 2.2 2.2 2.2 2.2 2.3 2.2 2.1 2.3 2.3 2.3 2.2 0.8 0.9 0.7
0
1.6 1.3 1.4
[2] 3m02.a 2.2 2.0 2.2 2.2 2.2 2.1 2.2 2.1 2.1 2.1 2.0 2.2 2.1 1.9 2.2 2.1 2.2 2.2 0.8 0.9 1.4 1.6
0
1.8 1.7
[2] 5eau.a 1.9 2.0 1.9 2.1 2.1 1.7 2.0 2.0 2.0 2.0 1.9 2.0 2.0 1.9 2.0 2.1 2.1 2.0 1.0 1.2 1.4 1.3 1.8
0
2.0
[2] 5ikh.a 3.6 3.2 3.6 3.4 3.4 3.4 3.5 3.5 3.4 3.4 3.4 3.5 3.5 3.1 3.5 3.5 3.5 3.6 0.8 1.0 1.1 1.4 1.7 2.0
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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