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BLAC_BACLI_42_306

Beta-lactamase [Class-A beta-lactamase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BLAC_BACLI):R: Substrate binding (248:250)
85, 86, 88, 89, 117:119, 144, 146, 180:185, 230, 251:253, 257, 286
85, 86, 88, 89, 117:119, 144, 146, 180:185, 230, 248:253, 257, 286

Full PDB list

1i2s, 1i2w, 1mbl, 1w7f, 2wk0, 2x71, 2y91, 3b3x, 3ly3, 3ly4, 3m2j, 3m2k, 3sh7, 3sh8, 3sh9, 3soi, 4a5r, 4blm, 4m3k, 4n1h, 4n92, 4n9k, 4n9l, 5ghx, 5ghy, 5ghz, 5lwf (redundant Pocketome entry); 2blm (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
A
8
5
S
8
6
K
8
9
V
1
1
7
N
1
1
8
Y
1
1
9
S
1
4
4
N
1
4
6
E
1
8
0
P
1
8
1
E
1
8
2
L
1
8
3
N
1
8
4
E
1
8
5
T
2
3
0
K
2
4
8
T
2
4
9
G
2
5
0
A
2
5
1
A
2
5
2
S
2
5
3
R
2
5
7
Y
2
8
6
[1]1i2s.a na1 . . . . . . . . . . . . . . . . . . . G . . .
[1]1i2w.a cfx24 . * . . . . . . . . . . . . . . . . . G . . .
[1]1mbl.a none . . . . . . . . A . . . . . . . . . . . . . .
[1]1w7f.a ict12 . . . . . . . . . . . . . . . . . . . G . . .
[1]1w7f.b none . . . . . . . . . . . . . . . . . . . G . . .
[1]2wk0.b biy13 . * . . . . . . . . . . . . . . . . . G . . .
[1]2x71.a l4c19 . * . . . . . . . . . . . . . . . . . G . . .
[1]3b3x.a a3313 . . . . . . . . . . . . . . . . . . . G . . .
[1]3m2j.a f5m32 . . . . . . . . C . . . . . . . . . . . . . .
[1]3m2j.b none . . . . . . . . C . . . . . . . . . . . . . .
[1]4a5r.a tbe20 . * . . . . . . . . . . . . . . . . . G . . .
[1]4n92.b none . . . . . . . . S . . . . . . . . . . . . . .
[1]4n9k.b ced22 . * . . . . . . S . . . . . . . . . . . . . .
[1]4n9l.b dwz26 . * . . . . . . S . . . . . . . . . . . . . .
[1]5ghx.a none . . . . . . . . H . . . . . . . . . . . . . .
[1]5ghz.b ced22 . . . . . . . . H . . . . . . . . . . . . . .
[1]5lwf.a none . . . . . . . . . . . . . . . . . . . . . . .
[2]3m2k.a pcz26 . * . . . . . . - - - - - - . . . . . . . . .
[2]3sh7.b bb016 . . . . . . . . C . . . . . . . . . . . . . .
[2]3sh8.a ced22 . . . . . . . . C . . - - - . . . . . . . . .
[2]3sh9.a bb0,pcz42 . * . . . . . . C . - - . . . . . . . . . . .
[3]2y91.b 98j9 . * . . . . . . . . . . . . . . . . . G . . .
[4]3ly4.a pnm23 . * . . . . . . C . . . . . . . . . . . . . .

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
A
8
5
S
8
6
I
8
8
K
8
9
V
1
1
7
N
1
1
8
Y
1
1
9
S
1
4
4
N
1
4
6
E
1
8
0
P
1
8
1
E
1
8
2
L
1
8
3
N
1
8
4
E
1
8
5
T
2
3
0
K
2
4
8
T
2
4
9
G
2
5
0
A
2
5
1
A
2
5
2
S
2
5
3
R
2
5
7
Y
2
8
6
[1]1i2s.a . . . . . . . . . * * . . * . . . . . . G . . .
[1]1i2w.a . * . . . . . . . * * . . . . . . . . . G . . .
[1]1mbl.a . . . . . . . . . A * . . * . . . . . . . . . .
[1]1w7f.a . . . . . . . . . * * . . * . . . . . . G . . .
[1]1w7f.b . * . . . . . . . * * . . * . . . . . . G . . .
[1]2wk0.b . * . . . . . . . * * . . * . . . . . . G . . .
[1]2x71.a . * . . . . . . . * * . . * . . . . . . G . . .
[1]3b3x.a . * . . . . . . . * * . . * . . . . . . G . . .
[1]3m2j.a . . . . . . . . . C * . . * . . . . . . . . . .
[1]3m2j.b . . . . . . . . . C * . . * . . . . . . . . . .
[1]4a5r.a . * . . . . . . . * * . . * . . . . . . G . . .
[1]4n92.b . . . . . . . . . S * . . * . . . . . . . . . .
[1]4n9k.b . * . . . . . . . S * . . * . . . . . . . . . .
[1]4n9l.b . * . . . . . . . S * . . * . . . . . . . . . .
[1]5ghx.a . . . . . . . . . H * . . * . . . . . . . . . .
[1]5ghz.b . * . . . * . . . H * . . * . . . . . . . . . .
[1]5lwf.a . * . . . . . . . * * . . * . . . . . . . . . .
[2]3m2k.a . * . . . . . . . - - - - - - . . . . . . . . .
[2]3sh7.b . . . . . . . . . C . * * . . . . . . . . . . .
[2]3sh8.a . . . . . . . . . C . * - - - . . . . . . . . .
[2]3sh9.a . * . . . . . . . C . - - . . . . . . . . * . .
[3]2y91.b . 1x6 . . . . . . . * * . . * . . . . . . G . . .
[4]3ly4.a . * . . . . * . . C . * * . . . . . . . . . . .

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
1i2s.a:na
1i2w.a:cfx
1mbl.a is apo
1w7f.a:ict
1w7f.b is apo
2wk0.b:biy
2x71.a:l4c
3b3x.a:a33
3m2j.a:f5m
3m2j.b is apo
4a5r.a:tbe
4n92.b is apo
4n9k.b:ced
4n9l.b:dwz
5ghx.a is apo
5ghz.b:ced
5lwf.a is apo
3m2k.a:pcz
3sh7.b:bb0
3sh8.a:ced
3sh9.a:bb0,pcz
2y91.b:98j
3ly4.a:pnm
[1] 1i2s.a
0
2.4 - 0.1 - 0.5 0.6 0.2 3.6 - 0.5 - 0.5 1.2 - 0.5 - 3.9 4.0 0.5 6.1 0.1 0.6
[1] 1i2w.a 0
0.8
- 0.5 - 0.7 0.6 0.3 3.5 - 0.8 - 0.4 0.5 - 0.6 - 1.5 2.8 0.4 4.0 0.1 0.4
[1] 1mbl.a 0 2.4
-
0.1 - 0.6 0.5 0.2 1.5 - 0.4 - 0.5 1.2 - 0.5 - 3.9 3.9 0.5 6.0 0 0.4
[1] 1w7f.a 0 2.3 -
0.1
- 0.5 0.5 0.3 3.7 - 0.5 - 0.5 1.1 - 0.4 - 3.1 3.6 0.4 5.8 0.1 0.6
[1] 1w7f.b 0 2.4 - 0.4
-
0.8 1.0 0.3 4.0 - 0.6 - 0.5 1.1 - 0.7 - 3.4 3.8 0.5 6.5 0.1 0.7
[1] 2wk0.b 0 3.0 - 0.4 -
0.8
1.2 0.3 4.6 - 0.7 - 1.1 1.3 - 1.1 - 4.2 4.1 1.0 7.4 0.1 0.9
[1] 2x71.a 0 2.5 - 0.6 - 0.6
0.7
0.3 3.9 - 0.9 - 0.5 0.9 - 0.6 - 3.7 3.4 0.4 6.1 0.1 0.6
[1] 3b3x.a 0 1.7 - 0.5 - 0.4 0.6
0.3
3.8 - 0.4 - 0.6 1.1 - 0.6 - 3.1 3.9 0.6 6.3 0.2 0.7
[1] 3m2j.a 0 1.9 - 0.2 - 0.5 0.5 0.1
1.4
- 0.5 - 0.4 0.7 - 0.4 - 2.8 3.2 0.4 5.2 0.1 0.5
[1] 3m2j.b 0 2.6 - 0.1 - 0.5 0.5 0.1 2.1
-
0.6 - 0.6 0.9 - 0.8 - 3.2 4.0 0.6 6.2 0.1 0.5
[1] 4a5r.a 0 3.2 - 0.5 - 0.6 1.0 0.2 4.9 -
0.6
- 1.0 1.9 - 0.9 - 3.5 4.0 0.9 7.0 0.1 0.7
[1] 4n92.b 0 3.0 - 0.3 - 0.6 0.6 0.2 2.2 - 0.5
-
0.6 1.2 - 0.5 - 3.8 4.2 0.5 6.3 0.1 0.6
[1] 4n9k.b 0 3.5 - 0.6 - 0.8 0.8 0.3 2.0 - 0.9 -
0.5
1.3 - 0.6 - 3.8 3.4 0.4 5.6 0.1 0.5
[1] 4n9l.b 0 2.2 - 0.1 - 0.5 0.7 0.2 1.9 - 1.0 - 0.7
0.6
- 0.7 - 2.9 3.9 0.7 5.9 0.1 0.5
[1] 5ghx.a 0 3.1 - 0.1 - 0.3 0.5 0 4.3 - 0.5 - 0.3 1.2
-
0.5 - 3.7 2.6 0.2 7.4 0.1 0.5
[1] 5ghz.b 0 2.4 - 0.3 - 0.5 0.6 0.2 3.4 - 0.4 - 0.5 1.1 -
0.4
- 3.4 2.1 0.4 6.2 0.1 0.5
[1] 5lwf.a 0 2.6 - 0.2 - 0.4 0.6 0.2 3.9 - 0.4 - 0.6 1.2 - 0.6
-
3.9 4.1 0.5 7.0 0.1 0.5
[2] 3m2k.a 0 1.2 - 0.1 - 0.5 0.8 0.2 1.5 - 1.2 - 0.7 0.6 - 0.8 -
0.6
0 0.4 0.8 0 0.7
[2] 3sh7.b 0.1 3.6 - 0.7 - 0.8 1.0 0.6 3.8 - 0.8 - 1.1 2.6 - 1.1 - 4.3
0.6
1.1 6.0 0.1 1.0
[2] 3sh8.a 0 2.7 - 0.2 - 0.8 0.7 0.1 2.8 - 0.7 - 0.5 1.5 - 0.4 - 2.5 0.2
0.4
2.7 0.1 0.6
[2] 3sh9.a 0.1 1.1 - 0.2 - 0.8 0.6 0.4 2.2 - 0.9 - 0.5 0.8 - 0.4 - 0.6 0.5 0.4
0.9
0.1 0.6
[3] 2y91.b 0 6.2 - 3.0 - 4.0 4.6 3.0 6.5 - 4.9 - 4.5 4.8 - 4.6 - 7.1 3.8 4.4 11
0.1
4.8
[4] 3ly4.a 0 2.0 - 0.2 - 1.0 0.6 0.2 3.0 - 1.8 - 0.7 0.9 - 0.5 - 1.4 2.2 0.5 4.4 0
0.5
[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
1i2s.a
1i2w.a
1mbl.a
1w7f.a
1w7f.b
2wk0.b
2x71.a
3b3x.a
3m2j.a
3m2j.b
4a5r.a
4n92.b
4n9k.b
4n9l.b
5ghx.a
5ghz.b
5lwf.a
3m2k.a
3sh7.b
3sh8.a
3sh9.a
2y91.b
3ly4.a
[1] 1i2s.a
0
.23 .10 .10 .08 .07 .09 .12 .17 .13 .08 .12 .18 .16 .10 .15 .05 .44 .54 .45 .43 .23 .66
[1] 1i2w.a .23
0
.30 .19 .18 .21 .15 .18 .26 .29 .26 .32 .25 .24 .21 .18 .20 .30 .43 .35 .32 .40 .52
[1] 1mbl.a .10 .30
0
.19 .14 .14 .18 .20 .10 .07 .16 .06 .12 .10 .18 .22 .12 .36 .49 .43 .37 .32 .56
[1] 1w7f.a .10 .19 .19
0
.08 .12 .08 .07 .16 .18 .13 .21 .19 .17 .09 .13 .10 .42 .50 .42 .42 .28 .62
[1] 1w7f.b .08 .18 .14 .08
0
.07 .07 .07 .17 .16 .09 .16 .17 .14 .12 .12 .07 .43 .53 .46 .44 .23 .63
[1] 2wk0.b .07 .21 .14 .12 .07
0
.11 .14 .23 .16 .07 .12 .20 .16 .12 .18 .03 .46 .58 .51 .50 .23 .68
[1] 2x71.a .09 .15 .18 .08 .07 .11
0
.06 .15 .18 .14 .19 .11 .19 .10 .09 .10 .40 .51 .43 .39 .26 .62
[1] 3b3x.a .12 .18 .20 .07 .07 .14 .06
0
.18 .20 .14 .20 .17 .20 .10 .09 .13 .44 .50 .43 .41 .29 .63
[1] 3m2j.a .17 .26 .10 .16 .17 .23 .15 .18
0
.08 .24 .12 .08 .12 .16 .17 .20 .31 .44 .37 .30 .38 .52
[1] 3m2j.b .13 .29 .07 .18 .16 .16 .18 .20 .08
0
.17 .06 .12 .10 .16 .21 .13 .37 .46 .40 .36 .33 .58
[1] 4a5r.a .08 .26 .16 .13 .09 .07 .14 .14 .24 .17
0
.14 .24 .21 .14 .21 .08 .50 .60 .52 .50 .22 .72
[1] 4n92.b .12 .32 .06 .21 .16 .12 .19 .20 .12 .06 .14
0
.11 .10 .18 .23 .13 .40 .49 .43 .39 .33 .59
[1] 4n9k.b .18 .25 .12 .19 .17 .20 .11 .17 .08 .12 .24 .11
0
.13 .17 .16 .20 .33 .46 .38 .32 .36 .52
[1] 4n9l.b .16 .24 .10 .17 .14 .16 .19 .20 .12 .10 .21 .10 .13
0
.21 .22 .15 .32 .43 .38 .35 .34 .52
[1] 5ghx.a .10 .21 .18 .09 .12 .12 .10 .10 .16 .16 .14 .18 .17 .21
0
.11 .10 .44 .54 .47 .43 .28 .65
[1] 5ghz.b .15 .18 .22 .13 .12 .18 .09 .09 .17 .21 .21 .23 .16 .22 .11
0
.16 .41 .52 .43 .39 .34 .60
[1] 5lwf.a .05 .20 .12 .10 .07 .03 .10 .13 .20 .13 .08 .13 .20 .15 .10 .16
0
.44 .57 .49 .47 .24 .66
[2] 3m2k.a .44 .30 .36 .42 .43 .46 .40 .44 .31 .37 .50 .40 .33 .32 .44 .41 .44
0
.29 .19 .08 .62 .29
[2] 3sh7.b .54 .43 .49 .50 .53 .58 .51 .50 .44 .46 .60 .49 .46 .43 .54 .52 .57 .29
0
.15 .26 .73 .23
[2] 3sh8.a .45 .35 .43 .42 .46 .51 .43 .43 .37 .40 .52 .43 .38 .38 .47 .43 .49 .19 .15
0
.16 .66 .23
[2] 3sh9.a .43 .32 .37 .42 .44 .50 .39 .41 .30 .36 .50 .39 .32 .35 .43 .39 .47 .08 .26 .16
0
.63 .32
[3] 2y91.b .23 .40 .32 .28 .23 .23 .26 .29 .38 .33 .22 .33 .36 .34 .28 .34 .24 .62 .73 .66 .63
0
.84
[4] 3ly4.a .66 .52 .56 .62 .63 .68 .62 .63 .52 .58 .72 .59 .52 .52 .65 .60 .66 .29 .23 .23 .32 .84
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
1i2s.a
1i2w.a
1mbl.a
1w7f.a
1w7f.b
2wk0.b
2x71.a
3b3x.a
3m2j.a
3m2j.b
4a5r.a
4n92.b
4n9k.b
4n9l.b
5ghx.a
5ghz.b
5lwf.a
3m2k.a
3sh7.b
3sh8.a
3sh9.a
2y91.b
3ly4.a
[1] 1i2s.a
0
0.5 0.2 0.2 0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.5 0.3 0.5 2.3 1.4 1.7 0.2 2.0
[1] 1i2w.a 0.5
0
0.6 0.4 0.5 0.6 0.5 0.4 0.5 0.6 0.7 0.6 0.5 0.6 0.7 0.6 0.6 0.5 2.3 1.4 1.6 0.7 1.9
[1] 1mbl.a 0.2 0.6
0
0.3 0.3 0.3 0.5 0.5 0.3 0.2 0.4 0.2 0.4 0.3 0.4 0.5 0.2 0.5 2.3 1.4 1.7 0.3 2.0
[1] 1w7f.a 0.2 0.4 0.3
0
0.3 0.4 0.3 0.3 0.3 0.4 0.5 0.3 0.3 0.4 0.4 0.5 0.3 0.4 2.3 1.4 1.6 0.4 2.0
[1] 1w7f.b 0.3 0.5 0.3 0.3
0
0.3 0.4 0.5 0.3 0.3 0.5 0.3 0.4 0.4 0.5 0.6 0.3 0.5 2.3 1.4 1.7 0.3 2.0
[1] 2wk0.b 0.3 0.6 0.3 0.4 0.3
0
0.5 0.6 0.4 0.3 0.3 0.3 0.4 0.3 0.4 0.6 0.2 0.5 2.3 1.4 1.8 0.2 2.0
[1] 2x71.a 0.4 0.5 0.5 0.3 0.4 0.5
0
0.4 0.5 0.5 0.6 0.4 0.3 0.5 0.5 0.5 0.5 0.5 2.3 1.4 1.6 0.5 2.0
[1] 3b3x.a 0.4 0.4 0.5 0.3 0.5 0.6 0.4
0
0.5 0.5 0.6 0.5 0.4 0.6 0.5 0.5 0.5 0.6 2.3 1.4 1.6 0.5 2.0
[1] 3m2j.a 0.3 0.5 0.3 0.3 0.3 0.4 0.5 0.5
0
0.3 0.5 0.4 0.3 0.4 0.5 0.5 0.3 0.4 2.3 1.4 1.6 0.4 2.0
[1] 3m2j.b 0.3 0.6 0.2 0.4 0.3 0.3 0.5 0.5 0.3
0
0.4 0.3 0.4 0.2 0.5 0.6 0.3 0.5 2.3 1.4 1.7 0.3 2.0
[1] 4a5r.a 0.3 0.7 0.4 0.5 0.5 0.3 0.6 0.6 0.5 0.4
0
0.3 0.5 0.4 0.5 0.7 0.4 0.5 2.4 1.4 1.8 0.2 2.1
[1] 4n92.b 0.3 0.6 0.2 0.3 0.3 0.3 0.4 0.5 0.4 0.3 0.3
0
0.3 0.2 0.5 0.6 0.2 0.5 2.3 1.3 1.7 0.3 2.0
[1] 4n9k.b 0.3 0.5 0.4 0.3 0.4 0.4 0.3 0.4 0.3 0.4 0.5 0.3
0
0.4 0.5 0.5 0.4 0.5 2.3 1.3 1.6 0.4 2.0
[1] 4n9l.b 0.3 0.6 0.3 0.4 0.4 0.3 0.5 0.6 0.4 0.2 0.4 0.2 0.4
0
0.5 0.6 0.3 0.5 2.3 1.4 1.7 0.3 2.0
[1] 5ghx.a 0.3 0.7 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
0
0.3 0.4 0.5 2.3 1.5 1.7 0.4 2.0
[1] 5ghz.b 0.5 0.6 0.5 0.5 0.6 0.6 0.5 0.5 0.5 0.6 0.7 0.6 0.5 0.6 0.3
0
0.6 0.5 2.3 1.5 1.6 0.6 2.0
[1] 5lwf.a 0.3 0.6 0.2 0.3 0.3 0.2 0.5 0.5 0.3 0.3 0.4 0.2 0.4 0.3 0.4 0.6
0
0.6 2.3 1.4 1.7 0.2 2.0
[2] 3m2k.a 0.5 0.5 0.5 0.4 0.5 0.5 0.5 0.6 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6
0
0.3 0.4 0.4 0.5 0.7
[2] 3sh7.b 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.4 2.3 2.3 2.3 2.3 2.3 2.3 0.3
0
1.2 0.9 2.4 1.2
[2] 3sh8.a 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.3 1.3 1.4 1.5 1.5 1.4 0.4 1.2
0
0.9 1.4 1.2
[2] 3sh9.a 1.7 1.6 1.7 1.6 1.7 1.8 1.6 1.6 1.6 1.7 1.8 1.7 1.6 1.7 1.7 1.6 1.7 0.4 0.9 0.9
0
1.8 0.9
[3] 2y91.b 0.2 0.7 0.3 0.4 0.3 0.2 0.5 0.5 0.4 0.3 0.2 0.3 0.4 0.3 0.4 0.6 0.2 0.5 2.4 1.4 1.8
0
2.1
[4] 3ly4.a 2.0 1.9 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.1 2.0 2.0 2.0 2.0 2.0 2.0 0.7 1.2 1.2 0.9 2.1
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

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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
1i2s.a
1i2w.a
1mbl.a
1w7f.a
1w7f.b
2wk0.b
2x71.a
3b3x.a
3m2j.a
3m2j.b
4a5r.a
4n92.b
4n9k.b
4n9l.b
5ghx.a
5ghz.b
5lwf.a
3m2k.a
3sh7.b
3sh8.a
3sh9.a
2y91.b
3ly4.a
[1] 1i2s.a
0
1.0 0.8 0.5 0.9 0.7 0.6 0.7 0.9 0.7 0.6 0.6 0.6 0.7 0.8 0.8 0.8 0.6 3.1 2.1 2.2 0.6 3.0
[1] 1i2w.a 1.0
0
1.3 0.8 1.1 1.2 0.8 0.8 1.2 1.1 1.1 1.0 0.9 0.9 1.2 1.1 1.2 0.7 3.2 2.2 2.2 1.2 3.0
[1] 1mbl.a 0.8 1.3
0
1.0 0.8 0.8 1.1 1.2 0.9 0.7 0.9 0.9 1.0 0.9 0.9 1.1 0.8 1.0 3.1 2.2 2.3 0.8 3.0
[1] 1w7f.a 0.5 0.8 1.0
0
0.8 0.9 0.4 0.4 1.1 0.9 0.8 0.6 0.6 0.8 0.9 0.8 0.9 0.6 3.1 2.1 2.2 0.8 3.0
[1] 1w7f.b 0.9 1.1 0.8 0.8
0
1.1 1.0 1.0 1.3 1.1 1.1 1.0 1.0 1.1 1.2 1.2 1.0 1.2 3.2 2.3 2.5 1.1 3.1
[1] 2wk0.b 0.7 1.2 0.8 0.9 1.1
0
0.9 1.0 0.8 0.6 0.5 0.8 0.9 0.8 0.8 1.1 0.6 0.8 3.1 2.1 2.2 0.5 3.0
[1] 2x71.a 0.6 0.8 1.1 0.4 1.0 0.9
0
0.5 1.1 1.0 0.9 0.7 0.6 0.8 1.0 0.9 1.0 0.7 3.1 2.1 2.2 0.9 3.0
[1] 3b3x.a 0.7 0.8 1.2 0.4 1.0 1.0 0.5
0
1.1 1.0 0.9 0.8 0.7 0.9 1.0 0.8 1.0 0.7 3.1 2.2 2.2 0.9 3.0
[1] 3m2j.a 0.9 1.2 0.9 1.1 1.3 0.8 1.1 1.1
0
0.6 0.9 0.9 0.9 0.9 0.8 1.0 0.6 0.6 3.0 2.1 2.1 0.8 3.0
[1] 3m2j.b 0.7 1.1 0.7 0.9 1.1 0.6 1.0 1.0 0.6
0
0.7 0.6 0.8 0.6 0.6 0.9 0.7 0.6 3.0 2.1 2.2 0.6 3.0
[1] 4a5r.a 0.6 1.1 0.9 0.8 1.1 0.5 0.9 0.9 0.9 0.7
0
0.7 0.8 0.8 0.8 1.0 0.8 0.7 3.2 2.1 2.3 0.5 3.1
[1] 4n92.b 0.6 1.0 0.9 0.6 1.0 0.8 0.7 0.8 0.9 0.6 0.7
0
0.3 0.6 0.7 0.8 0.8 0.6 3.1 2.1 2.2 0.7 3.0
[1] 4n9k.b 0.6 0.9 1.0 0.6 1.0 0.9 0.6 0.7 0.9 0.8 0.8 0.3
0
0.7 0.8 0.8 0.9 0.6 3.1 2.0 2.2 0.8 3.0
[1] 4n9l.b 0.7 0.9 0.9 0.8 1.1 0.8 0.8 0.9 0.9 0.6 0.8 0.6 0.7
0
0.9 1.0 0.8 0.6 3.0 2.0 2.1 0.8 2.9
[1] 5ghx.a 0.8 1.2 0.9 0.9 1.2 0.8 1.0 1.0 0.8 0.6 0.8 0.7 0.8 0.9
0
0.8 0.9 0.7 3.1 2.2 2.2 0.6 3.1
[1] 5ghz.b 0.8 1.1 1.1 0.8 1.2 1.1 0.9 0.8 1.0 0.9 1.0 0.8 0.8 1.0 0.8
0
1.1 0.7 3.2 2.3 2.2 1.0 3.0
[1] 5lwf.a 0.8 1.2 0.8 0.9 1.0 0.6 1.0 1.0 0.6 0.7 0.8 0.8 0.9 0.8 0.9 1.1
0
0.7 3.0 2.1 2.2 0.6 3.0
[2] 3m2k.a 0.6 0.7 1.0 0.6 1.2 0.8 0.7 0.7 0.6 0.6 0.7 0.6 0.6 0.6 0.7 0.7 0.7
0
0.5 0.5 0.5 0.6 1.4
[2] 3sh7.b 3.1 3.2 3.1 3.1 3.2 3.1 3.1 3.1 3.0 3.0 3.2 3.1 3.1 3.0 3.1 3.2 3.0 0.5
0
1.0 1.0 3.1 1.8
[2] 3sh8.a 2.1 2.2 2.2 2.1 2.3 2.1 2.1 2.2 2.1 2.1 2.1 2.1 2.0 2.0 2.2 2.3 2.1 0.5 1.0
0
0.8 2.1 1.6
[2] 3sh9.a 2.2 2.2 2.3 2.2 2.5 2.2 2.2 2.2 2.1 2.2 2.3 2.2 2.2 2.1 2.2 2.2 2.2 0.5 1.0 0.8
0
2.2 1.5
[3] 2y91.b 0.6 1.2 0.8 0.8 1.1 0.5 0.9 0.9 0.8 0.6 0.5 0.7 0.8 0.8 0.6 1.0 0.6 0.6 3.1 2.1 2.2
0
3.1
[4] 3ly4.a 3.0 3.0 3.0 3.0 3.1 3.0 3.0 3.0 3.0 3.0 3.1 3.0 3.0 2.9 3.1 3.0 3.0 1.4 1.8 1.6 1.5 3.1
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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