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FABI_STAAR_1_256

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [Short-chain dehydrogenases/reductases (SDR) family. FabI subfamily]

Composition of the binding site

Protein chains monomer
A1 (FABI_STAAR):94:99, 102, 147:157, 160, 164, 192, 193, 197:204, 207, 21194:99, 102, 147:157, 160, 164, 192, 193, 197:204, 207, 211
Cofactors (cF):0wd/nap/ndp

Full PDB list

3gns, 3gnt, 3gr6, 4ali, 4alj, 4alk, 4all, 4alm, 4aln, 4bnf, 4bng, 4bnh, 4bni, 4bnj, 4bnk, 4bnl, 4bnm, 4bnn, 4cuz, 4cv0, 4cv1, 4d41, 4d42, 4d43, 4d44, 4d45, 4fs3, 4nz9 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
A
9
5
F
9
6
A
9
7
M
9
9
L
1
0
2
Y
1
4
7
V
1
5
4
Q
1
5
5
N
1
5
6
Y
1
5
7
M
1
6
0
K
1
6
4
P
1
9
2
S
1
9
7
A
1
9
8
V
2
0
1
G
2
0
2
G
2
0
3
F
2
0
4
I
2
0
7
[1]4ali.a tcl17 . . . . . . . . . . . . . . . . . . . . nap
[1]4alj.a ch815 . . . . . . . . . . . . . . . . . . . . nap
[1]4alk.a e9p16 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnf.b pv417 . . . . . . . . . . . . . . . . . . . . nap
[1]4bng.a 5pp19 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnh.a 6pn20 . . . . . . . . . . . . . . . . . . . . nap
[1]4bni.a p1f21 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnj.a mj515 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnk.b fpl15 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnl.a w1g17 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnm.a tcu21 . . . . . . . . . . . . . . . . . . . . nap
[1]4bnn.a jus22 . . . . . . . . . . . . . . . . . . . . nap
[1]4cuz.a aew22 . . . . . . . . . . . . . . . . . . . . ndp
[1]4cv1.a pt624 . . . . . . . . . . . . . . . . . . . . ndp
[1]4d41.a ja123 . . . . . . . . . . . . . . . . . . . . nap
[1]4d42.a w0i21 . . . . . . . . . . . . . . . . . . . . nap
[1]4d43.b 9w721 . . . . . . . . . . . . . . . . . . . . nap
[1]4d44.a ja318 . . . . . . . . . . . . . . . . . . . . nap
[1]4d45.a j4718 . . . . . . . . . . . . . . . . . . . . nap
[1]4fs3.a 0we28 . . . . . . . . . . . . . . . . . . . . 0wd
[1]4nz9.b 1jt23 . . . . . . . . . . . . . . . . . . . . nap
[2]4alm.a 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 cF
I
9
4
A
9
5
F
9
6
A
9
7
N
9
8
M
9
9
L
1
0
2
Y
1
4
7
L
1
4
8
G
1
4
9
G
1
5
0
E
1
5
1
F
1
5
2
A
1
5
3
V
1
5
4
Q
1
5
5
N
1
5
6
Y
1
5
7
M
1
6
0
K
1
6
4
P
1
9
2
I
1
9
3
S
1
9
7
A
1
9
8
K
1
9
9
G
2
0
0
V
2
0
1
G
2
0
2
G
2
0
3
F
2
0
4
I
2
0
7
I
2
1
1
[1]4ali.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . * . nap
[1]4alj.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . * . nap
[1]4alk.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . * . nap
[1]4bnf.b . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bng.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bnh.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bni.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bnj.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . * . nap
[1]4bnk.b . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bnl.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bnm.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4bnn.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4cuz.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ndp
[1]4cv1.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ndp
[1]4d41.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4d42.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4d43.b . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . nap
[1]4d44.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . * . nap
[1]4d45.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . * . nap
[1]4fs3.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0wd
[1]4nz9.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . nap
[2]4alm.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
4ali.a:tcl
4alj.a:ch8
4alk.a:e9p
4bnf.b:pv4
4bng.a:5pp
4bnh.a:6pn
4bni.a:p1f
4bnj.a:mj5
4bnk.b:fpl
4bnl.a:w1g
4bnm.a:tcu
4bnn.a:jus
4cuz.a:aew
4cv1.a:pt6
4d41.a:ja1
4d42.a:w0i
4d43.b:9w7
4d44.a:ja3
4d45.a:j47
4fs3.a:0we
4nz9.b:1jt
4alm.a is apo
[1] 4ali.a
0.1
0.2 0.1 0.2 0.4 0.7 0.7 0.2 0.2 0.2 0.7 0.6 1.0 1.4 0.7 1.1 0.1 0.2 0.1 2.4 2.1 -
[1] 4alj.a 0.3
0.1
0 0.1 0.4 0.5 0.7 0 0.1 0.1 0.9 0.6 1.2 1.6 0.9 0.8 0.4 0.1 0.4 2.5 2.0 -
[1] 4alk.a 0.2 0.1
0
0.1 0.4 0.4 0.4 0 0 0 0.8 0.5 1.0 1.1 0.7 0.4 0.2 0 0.3 2.3 2.2 -
[1] 4bnf.b 0.3 0 0
0
0.1 0.2 0.1 0 0 0 0.4 0.2 0.6 0.7 0.2 0.2 0.3 0 0.3 1.7 1.2 -
[1] 4bng.a 0.3 0.1 0.1 0
0
0.1 0 0.1 0.1 0.1 0.3 0.2 0.4 0.6 0.2 0.1 0.3 0.1 0.3 1.7 1.0 -
[1] 4bnh.a 0.2 0 0 0 0
0
0 0 0 0 0.1 0 0.4 0.7 0.1 0 0.2 0 0.1 1.6 1.1 -
[1] 4bni.a 0.1 0.1 0 0 0 0
0
0 0 0 0 0 0.2 0.6 0 0 0.2 0 0.2 1.5 1.4 -
[1] 4bnj.a 0.2 0.1 0 0.1 0.6 0.5 0.7
0
0.1 0.1 0.5 0.8 1.0 1.4 0.7 0.8 0.3 0.2 0.4 2.2 2.1 -
[1] 4bnk.b 0 0.1 0 0 0.4 0.4 0.4 0
0
0 0.6 0.5 0.7 1.1 0.5 0.4 0.1 0.1 0.2 1.6 1.3 -
[1] 4bnl.a 0.3 0 0 0 0.4 0.4 0.4 0 0
0
0.7 0.5 0.7 0.9 0.4 0.4 0.3 0.1 0.3 1.7 1.6 -
[1] 4bnm.a 0.1 0.1 0 0 0 0.1 0 0 0.1 0
0
0.1 0.2 0.6 0.1 0.1 0.2 0.1 0.2 1.6 1.4 -
[1] 4bnn.a 0.1 0.1 0 0 0 0 0 0 0 0 0.2
0
0.5 0.7 0 0.1 0.3 0 0.2 1.6 1.0 -
[1] 4cuz.a 0.3 0.2 0.2 0.1 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.3
0.1
0 0.2 0.2 0.1 0.4 0.2 0.6 0.2 -
[1] 4cv1.a 0.2 0.2 0.1 0.1 0.1 0.2 0.1 0.1 0.2 0.1 0.1 0.1 0.1
0
0.1 0.2 0.2 0.4 0.2 0.7 0.4 -
[1] 4d41.a 0.1 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0 0.1 0.3 0.5
0
0.1 0 0.1 0.1 2.2 1.0 -
[1] 4d42.a 0.2 0.1 0 0 0 0.1 0 0 0.1 0 0.1 0.1 0.4 0.7 0
0.1
0.4 0.1 0.2 1.4 0.9 -
[1] 4d43.b 0 0.2 0.1 0.1 0.5 0.7 0.5 0.1 0.2 0.1 0.7 0.7 0.6 1.0 0.5 0.9
0.1
0.2 0 2.3 1.9 -
[1] 4d44.a 0.2 0.1 0 0.1 0.4 0.5 0.6 0 0.1 0 0.6 0.8 1.0 1.3 0.8 0.6 0.3
0.1
0.3 2.2 2.3 -
[1] 4d45.a 0 0.2 0.1 0.2 0.7 0.6 0.7 0.1 0.1 0.1 0.7 0.6 1.2 1.3 0.8 1.1 0 0.1
0
2.4 2.0 -
[1] 4fs3.a 0.2 0.1 0.1 0 0.1 0.2 0.1 0.1 0.1 0.1 0.5 0.3 0.2 0.5 0.4 0.2 0.3 0.1 0.3
0
0.2 -
[1] 4nz9.b 0.2 0.1 0 0 0 0.1 0 0 0.1 0.1 0.1 0.3 0 0 0.1 0.1 0.1 0.1 0.2 0.2
0
-
[2] 4alm.a 7.3 7.3 7.2 8.5 8.3 8.8 8.9 6.9 6.7 8.2 8.6 9.1 8.6 11 9.0 10 8.2 7.9 7.0 12 12
-
[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
4ali.a
4alj.a
4alk.a
4bnf.b
4bng.a
4bnh.a
4bni.a
4bnj.a
4bnk.b
4bnl.a
4bnm.a
4bnn.a
4cuz.a
4cv1.a
4d41.a
4d42.a
4d43.b
4d44.a
4d45.a
4fs3.a
4nz9.b
4alm.a
[1] 4ali.a
0
.02 .02 .05 .05 .06 .05 .02 .05 .04 .05 .05 .10 .09 .04 .06 .02 .02 .01 .09 .09 .48
[1] 4alj.a .02
0
.01 .04 .04 .05 .04 .01 .04 .03 .04 .04 .10 .09 .04 .05 .03 .01 .02 .09 .09 .48
[1] 4alk.a .02 .01
0
.03 .03 .04 .04 .01 .04 .03 .04 .04 .10 .09 .04 .04 .03 .01 .02 .09 .09 .49
[1] 4bnf.b .05 .04 .03
0
.01 .01 .02 .04 .03 .01 .02 .01 .07 .06 .03 .02 .04 .03 .05 .06 .06 .49
[1] 4bng.a .05 .04 .03 .01
0
.01 .01 .04 .03 .02 .01 .01 .07 .05 .02 .01 .03 .03 .05 .05 .05 .49
[1] 4bnh.a .06 .05 .04 .01 .01
0
.02 .04 .03 .02 .02 .01 .07 .06 .02 .01 .04 .04 .06 .06 .06 .48
[1] 4bni.a .05 .04 .04 .02 .01 .02
0
.04 .02 .02 0 .01 .07 .05 .03 .02 .03 .03 .05 .06 .06 .47
[1] 4bnj.a .02 .01 .01 .04 .04 .04 .04
0
.04 .02 .04 .04 .10 .08 .04 .05 .04 .01 .02 .08 .09 .48
[1] 4bnk.b .05 .04 .04 .03 .03 .03 .02 .04
0
.02 .02 .03 .08 .06 .04 .03 .04 .04 .05 .05 .06 .47
[1] 4bnl.a .04 .03 .03 .01 .02 .02 .02 .02 .02
0
.02 .02 .08 .07 .04 .03 .04 .02 .04 .07 .07 .48
[1] 4bnm.a .05 .04 .04 .02 .01 .02 0 .04 .02 .02
0
.01 .07 .05 .03 .02 .03 .03 .05 .06 .06 .47
[1] 4bnn.a .05 .04 .04 .01 .01 .01 .01 .04 .03 .02 .01
0
.07 .05 .02 .01 .03 .04 .05 .05 .05 .48
[1] 4cuz.a .10 .10 .10 .07 .07 .07 .07 .10 .08 .08 .07 .07
0
.03 .07 .06 .08 .10 .10 .04 .02 .46
[1] 4cv1.a .09 .09 .09 .06 .05 .06 .05 .08 .06 .07 .05 .05 .03
0
.06 .05 .07 .08 .09 .04 .04 .45
[1] 4d41.a .04 .04 .04 .03 .02 .02 .03 .04 .04 .04 .03 .02 .07 .06
0
.02 .02 .03 .04 .07 .07 .49
[1] 4d42.a .06 .05 .04 .02 .01 .01 .02 .05 .03 .03 .02 .01 .06 .05 .02
0
.04 .04 .06 .05 .05 .48
[1] 4d43.b .02 .03 .03 .04 .03 .04 .03 .04 .04 .04 .03 .03 .08 .07 .02 .04
0
.03 .02 .08 .08 .49
[1] 4d44.a .02 .01 .01 .03 .03 .04 .03 .01 .04 .02 .03 .04 .10 .08 .03 .04 .03
0
.02 .08 .08 .48
[1] 4d45.a .01 .02 .02 .05 .05 .06 .05 .02 .05 .04 .05 .05 .10 .09 .04 .06 .02 .02
0
.09 .09 .48
[1] 4fs3.a .09 .09 .09 .06 .05 .06 .06 .08 .05 .07 .06 .05 .04 .04 .07 .05 .08 .08 .09
0
.03 .44
[1] 4nz9.b .09 .09 .09 .06 .05 .06 .06 .09 .06 .07 .06 .05 .02 .04 .07 .05 .08 .08 .09 .03
0
.45
[2] 4alm.a .48 .48 .49 .49 .49 .48 .47 .48 .47 .48 .47 .48 .46 .45 .49 .48 .49 .48 .48 .44 .45
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

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
4ali.a
4alj.a
4alk.a
4bnf.b
4bng.a
4bnh.a
4bni.a
4bnj.a
4bnk.b
4bnl.a
4bnm.a
4bnn.a
4cuz.a
4cv1.a
4d41.a
4d42.a
4d43.b
4d44.a
4d45.a
4fs3.a
4nz9.b
4alm.a
[1] 4ali.a
0
0.8 0.8 0.3 0.8 0.8 0.8 0.8 0.3 0.8 0.8 0.8 1.1 0.9 0.3 0.8 0.2 0.8 0.2 1.3 1.3 8.7
[1] 4alj.a 0.8
0
0.2 0.8 0.3 0.3 0.3 0.2 0.7 0.2 0.3 0.3 1.1 1.2 0.8 0.3 0.8 0.2 0.8 1.2 1.3 8.7
[1] 4alk.a 0.8 0.2
0
0.8 0.4 0.3 0.3 0.2 0.7 0.1 0.4 0.3 1.1 1.2 0.8 0.3 0.8 0.1 0.8 1.2 1.3 8.7
[1] 4bnf.b 0.3 0.8 0.8
0
0.8 0.8 0.9 0.8 0.3 0.8 0.8 0.8 1.1 1.0 0.3 0.8 0.3 0.8 0.3 1.3 1.3 8.6
[1] 4bng.a 0.8 0.3 0.4 0.8
0
0.2 0.2 0.3 0.7 0.4 0.2 0.3 1.0 1.0 0.7 0.2 0.8 0.3 0.8 1.2 1.3 8.7
[1] 4bnh.a 0.8 0.3 0.3 0.8 0.2
0
0.1 0.2 0.7 0.2 0.2 0.2 1.0 1.1 0.8 0.1 0.8 0.2 0.8 1.2 1.3 8.7
[1] 4bni.a 0.8 0.3 0.3 0.9 0.2 0.1
0
0.3 0.7 0.3 0.2 0.2 1.0 1.1 0.8 0.2 0.9 0.3 0.9 1.2 1.3 8.7
[1] 4bnj.a 0.8 0.2 0.2 0.8 0.3 0.2 0.3
0
0.7 0.2 0.3 0.2 1.1 1.2 0.8 0.2 0.8 0.1 0.8 1.2 1.3 8.7
[1] 4bnk.b 0.3 0.7 0.7 0.3 0.7 0.7 0.7 0.7
0
0.7 0.7 0.7 1.0 1.0 0.4 0.7 0.3 0.7 0.4 1.2 1.2 8.7
[1] 4bnl.a 0.8 0.2 0.1 0.8 0.4 0.2 0.3 0.2 0.7
0
0.3 0.2 1.1 1.2 0.8 0.2 0.8 0.2 0.8 1.2 1.3 8.7
[1] 4bnm.a 0.8 0.3 0.4 0.8 0.2 0.2 0.2 0.3 0.7 0.3
0
0.2 1.0 1.0 0.8 0.2 0.8 0.3 0.8 1.1 1.2 8.7
[1] 4bnn.a 0.8 0.3 0.3 0.8 0.3 0.2 0.2 0.2 0.7 0.2 0.2
0
1.0 1.1 0.8 0.2 0.8 0.2 0.8 1.2 1.3 8.7
[1] 4cuz.a 1.1 1.1 1.1 1.1 1.0 1.0 1.0 1.1 1.0 1.1 1.0 1.0
0
0.9 1.0 1.0 1.0 1.1 1.1 0.6 0.7 8.8
[1] 4cv1.a 0.9 1.2 1.2 1.0 1.0 1.1 1.1 1.2 1.0 1.2 1.0 1.1 0.9
0
0.8 1.1 0.9 1.2 1.0 1.2 1.4 8.8
[1] 4d41.a 0.3 0.8 0.8 0.3 0.7 0.8 0.8 0.8 0.4 0.8 0.8 0.8 1.0 0.8
0
0.8 0.3 0.8 0.3 1.2 1.3 8.7
[1] 4d42.a 0.8 0.3 0.3 0.8 0.2 0.1 0.2 0.2 0.7 0.2 0.2 0.2 1.0 1.1 0.8
0
0.8 0.2 0.8 1.2 1.3 8.7
[1] 4d43.b 0.2 0.8 0.8 0.3 0.8 0.8 0.9 0.8 0.3 0.8 0.8 0.8 1.0 0.9 0.3 0.8
0
0.8 0.2 1.2 1.2 8.7
[1] 4d44.a 0.8 0.2 0.1 0.8 0.3 0.2 0.3 0.1 0.7 0.2 0.3 0.2 1.1 1.2 0.8 0.2 0.8
0
0.8 1.2 1.3 8.7
[1] 4d45.a 0.2 0.8 0.8 0.3 0.8 0.8 0.9 0.8 0.4 0.8 0.8 0.8 1.1 1.0 0.3 0.8 0.2 0.8
0
1.3 1.3 8.7
[1] 4fs3.a 1.3 1.2 1.2 1.3 1.2 1.2 1.2 1.2 1.2 1.2 1.1 1.2 0.6 1.2 1.2 1.2 1.2 1.2 1.3
0
0.7 8.8
[1] 4nz9.b 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.2 1.3 1.2 1.3 0.7 1.4 1.3 1.3 1.2 1.3 1.3 0.7
0
8.8
[2] 4alm.a 8.7 8.7 8.7 8.6 8.7 8.7 8.7 8.7 8.7 8.7 8.7 8.7 8.8 8.8 8.7 8.7 8.7 8.7 8.7 8.8 8.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
4ali.a
4alj.a
4alk.a
4bnf.b
4bng.a
4bnh.a
4bni.a
4bnj.a
4bnk.b
4bnl.a
4bnm.a
4bnn.a
4cuz.a
4cv1.a
4d41.a
4d42.a
4d43.b
4d44.a
4d45.a
4fs3.a
4nz9.b
4alm.a
[1] 4ali.a
0
0.9 0.9 0.6 0.9 0.9 1.0 0.8 0.7 0.9 0.9 0.9 1.2 1.1 0.6 0.9 0.6 0.9 0.5 1.5 1.6 9.2
[1] 4alj.a 0.9
0
0.5 1.0 0.6 0.6 0.6 0.4 0.9 0.6 0.7 0.6 1.2 1.3 1.0 0.6 0.9 0.6 0.9 1.4 1.5 9.2
[1] 4alk.a 0.9 0.5
0
0.9 0.6 0.6 0.6 0.3 0.9 0.4 0.7 0.6 1.2 1.2 1.0 0.4 0.9 0.3 0.9 1.4 1.4 9.2
[1] 4bnf.b 0.6 1.0 0.9
0
1.0 0.9 1.0 0.9 0.7 0.9 0.9 0.9 1.2 1.2 0.6 1.0 0.7 1.0 0.7 1.5 1.6 9.1
[1] 4bng.a 0.9 0.6 0.6 1.0
0
0.5 0.5 0.5 0.9 0.7 0.5 0.5 1.2 1.1 0.9 0.5 1.0 0.6 0.9 1.4 1.4 9.2
[1] 4bnh.a 0.9 0.6 0.6 0.9 0.5
0
0.2 0.5 1.0 0.5 0.4 0.3 1.1 1.2 0.9 0.4 1.0 0.6 1.0 1.4 1.5 9.2
[1] 4bni.a 1.0 0.6 0.6 1.0 0.5 0.2
0
0.5 1.0 0.5 0.3 0.4 1.1 1.2 0.9 0.4 1.1 0.7 1.0 1.4 1.4 9.2
[1] 4bnj.a 0.8 0.4 0.3 0.9 0.5 0.5 0.5
0
0.9 0.5 0.6 0.5 1.2 1.2 1.0 0.5 0.9 0.4 0.9 1.4 1.4 9.2
[1] 4bnk.b 0.7 0.9 0.9 0.7 0.9 1.0 1.0 0.9
0
0.9 0.9 1.0 1.2 1.2 0.8 0.9 0.8 0.9 0.8 1.5 1.6 9.2
[1] 4bnl.a 0.9 0.6 0.4 0.9 0.7 0.5 0.5 0.5 0.9
0
0.5 0.4 1.2 1.2 0.9 0.5 1.0 0.5 0.9 1.4 1.4 9.2
[1] 4bnm.a 0.9 0.7 0.7 0.9 0.5 0.4 0.3 0.6 0.9 0.5
0
0.4 1.1 1.1 0.8 0.5 1.0 0.7 1.0 1.4 1.4 9.2
[1] 4bnn.a 0.9 0.6 0.6 0.9 0.5 0.3 0.4 0.5 1.0 0.4 0.4
0
1.1 1.2 0.8 0.5 1.0 0.6 1.0 1.5 1.5 9.2
[1] 4cuz.a 1.2 1.2 1.2 1.2 1.2 1.1 1.1 1.2 1.2 1.2 1.1 1.1
0
1.1 1.1 1.2 1.1 1.2 1.2 1.2 1.2 9.2
[1] 4cv1.a 1.1 1.3 1.2 1.2 1.1 1.2 1.2 1.2 1.2 1.2 1.1 1.2 1.1
0
1.1 1.2 1.2 1.2 1.2 1.5 1.6 9.2
[1] 4d41.a 0.6 1.0 1.0 0.6 0.9 0.9 0.9 1.0 0.8 0.9 0.8 0.8 1.1 1.1
0
0.9 0.7 1.0 0.6 1.6 1.6 9.2
[1] 4d42.a 0.9 0.6 0.4 1.0 0.5 0.4 0.4 0.5 0.9 0.5 0.5 0.5 1.2 1.2 0.9
0
1.0 0.5 1.0 1.4 1.4 9.2
[1] 4d43.b 0.6 0.9 0.9 0.7 1.0 1.0 1.1 0.9 0.8 1.0 1.0 1.0 1.1 1.2 0.7 1.0
0
0.9 0.5 1.5 1.5 9.2
[1] 4d44.a 0.9 0.6 0.3 1.0 0.6 0.6 0.7 0.4 0.9 0.5 0.7 0.6 1.2 1.2 1.0 0.5 0.9
0
0.9 1.4 1.4 9.2
[1] 4d45.a 0.5 0.9 0.9 0.7 0.9 1.0 1.0 0.9 0.8 0.9 1.0 1.0 1.2 1.2 0.6 1.0 0.5 0.9
0
1.5 1.5 9.2
[1] 4fs3.a 1.5 1.4 1.4 1.5 1.4 1.4 1.4 1.4 1.5 1.4 1.4 1.5 1.2 1.5 1.6 1.4 1.5 1.4 1.5
0
1.0 9.2
[1] 4nz9.b 1.6 1.5 1.4 1.6 1.4 1.5 1.4 1.4 1.6 1.4 1.4 1.5 1.2 1.6 1.6 1.4 1.5 1.4 1.5 1.0
0
9.2
[2] 4alm.a 9.2 9.2 9.2 9.1 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2 9.2
0
[Binding site full-atom RMSD matrix]







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