If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

AOTC_XANCP_2_339

N-acetylornithine carbamoyltransferase [ATCase/OTCase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AOTC_XANCP):R: Carbamoyl phosphate binding (49:52)
R: N-acetylornithine binding (294:296)
112, 114, 144, 148, 151, 180, 184, 185, 188, 252, 298, 302, 322
49:52, 112, 114, 144, 148, 151, 180, 184, 185, 188, 252, 294:296, 298, 302, 322

Full PDB list

3kzc, 3kzk, 3kzm, 3kzn, 3kzo, 3l02, 3l04, 3l05, 3l06, 3m4j, 3m4n, 3m5c, 3m5d (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
S
4
9
M
5
0
R
5
1
T
5
2
R
1
1
2
F
1
1
4
E
1
4
4
H
1
4
8
Q
1
5
1
H
1
8
0
L
1
8
4
N
1
8
5
V
1
8
8
K
2
5
2
C
2
9
4
L
2
9
5
P
2
9
6
R
2
9
8
R
3
2
2
[1]3kzc.a none . . . . . . . . . . . . . . . . . . .
[1]3kzk.a oln15 . . . . . . . . . . . . . . . . . . .
[1]3kzm.a cp8 . . . . . . . . . . . . . . . . . . .
[1]3kzn.a aor12 . . . . . . . . . . . . . . . . . . .
[1]3kzo.a an0,cp19 . . . . . . . . . . . . . . . . . . .
[1]3l02.a cp,sn023 . . . . . . . . . . . . . . . . . . .
[1]3m4j.a pa919 . . . . . . . . . . . . . . . . . . .
[1]3m4n.a pa919 . . . . . . . . . . . . . . . . . . .
[1]3m5c.a pa919 . . . . . . . . . . . . . . . . . . .
[1]3m5d.a pa919 . . . . . . . . . . . . . . . . . . .

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
S
4
9
M
5
0
R
5
1
T
5
2
R
1
1
2
F
1
1
4
E
1
4
4
H
1
4
8
Q
1
5
1
H
1
8
0
L
1
8
4
N
1
8
5
V
1
8
8
K
2
5
2
C
2
9
4
L
2
9
5
P
2
9
6
R
2
9
8
K
3
0
2
R
3
2
2
[1]3kzc.a . . . . . . . . . . . . . . . . . . * .
[1]3kzk.a . . . . . . . . . . . . . . . . . . * .
[1]3kzm.a . . . . . . . . . . . . . . . . . . * .
[1]3kzn.a . . * . . . . . . . . . . . . . . . * .
[1]3kzo.a . . . . . . . . . . . . . . . . . . * .
[1]3l02.a . . . . . . . . . . . . . . . . . . * .
[1]3m4j.a . . . . . . . . . . . . . . . . . . * .
[1]3m4n.a . . . . . . . . . . . . . . . . . . A .
[1]3m5c.a . . . . . . . . . . . . . . . . . . E .
[1]3m5d.a . . . . . . . . . . . . . . . . . . R .

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
3kzc.a is apo
3kzk.a:oln
3kzm.a:cp
3kzn.a:aor
3kzo.a:an0,cp
3l02.a:cp,sn0
3m4j.a:pa9
3m4n.a:pa9
3m5c.a:pa9
3m5d.a:pa9
[1] 3kzc.a
-
0.1 0.5 0.2 0.4 0.4 0.7 0.6 0.6 0.7
[1] 3kzk.a -
0
0.2 0 0.2 0.2 0.3 0.4 0.4 0.3
[1] 3kzm.a - 0
0.1
0.1 0.1 0 0.4 0.4 0.3 0.3
[1] 3kzn.a - 0 1.0
0
1.2 1.5 1.5 1.2 1.3 1.5
[1] 3kzo.a - 0 0.2 0
0.1
0.2 0.3 0.3 0.4 0.5
[1] 3l02.a - 0.1 0.1 0.1 0.3
0.1
0.3 0.4 0.4 0.4
[1] 3m4j.a - 0 0.2 0.1 0.1 0.2
0.3
0.2 0.3 0.2
[1] 3m4n.a - 0 0.3 0 0.4 0.2 0.5
0.2
0.3 0.4
[1] 3m5c.a - 0 0.2 0 0.2 0.2 0.4 0.2
0.3
0.3
[1] 3m5d.a - 0 0.1 0.2 0.2 0.2 0.3 0.3 0.3
0.2
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
3kzc.a
3kzk.a
3kzm.a
3kzn.a
3kzo.a
3l02.a
3m4j.a
3m4n.a
3m5c.a
3m5d.a
[1] 3kzc.a
0
.06 .05 .07 .06 .07 .06 .06 .06 .06
[1] 3kzk.a .06
0
.02 .09 .01 .03 .01 .02 .01 .02
[1] 3kzm.a .05 .02
0
.09 .02 .02 .02 .03 .03 .03
[1] 3kzn.a .07 .09 .09
0
.09 .11 .10 .10 .09 .10
[1] 3kzo.a .06 .01 .02 .09
0
.02 .01 .03 .02 .02
[1] 3l02.a .07 .03 .02 .11 .02
0
.02 .02 .03 .02
[1] 3m4j.a .06 .01 .02 .10 .01 .02
0
.02 .02 .01
[1] 3m4n.a .06 .02 .03 .10 .03 .02 .02
0
.02 .02
[1] 3m5c.a .06 .01 .03 .09 .02 .03 .02 .02
0
.01
[1] 3m5d.a .06 .02 .03 .10 .02 .02 .01 .02 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
3kzc.a
3kzk.a
3kzm.a
3kzn.a
3kzo.a
3l02.a
3m4j.a
3m4n.a
3m5c.a
3m5d.a
[1] 3kzc.a
0
0.5 0.6 0.3 0.6 0.7 0.6 0.7 0.7 0.7
[1] 3kzk.a 0.5
0
0.3 0.5 0.2 0.3 0.2 0.3 0.2 0.4
[1] 3kzm.a 0.6 0.3
0
0.6 0.2 0.2 0.3 0.3 0.3 0.2
[1] 3kzn.a 0.3 0.5 0.6
0
0.6 0.7 0.6 0.7 0.6 0.7
[1] 3kzo.a 0.6 0.2 0.2 0.6
0
0.2 0.1 0.2 0.1 0.3
[1] 3l02.a 0.7 0.3 0.2 0.7 0.2
0
0.2 0.2 0.2 0.2
[1] 3m4j.a 0.6 0.2 0.3 0.6 0.1 0.2
0
0.2 0.1 0.3
[1] 3m4n.a 0.7 0.3 0.3 0.7 0.2 0.2 0.2
0
0.1 0.3
[1] 3m5c.a 0.7 0.2 0.3 0.6 0.1 0.2 0.1 0.1
0
0.3
[1] 3m5d.a 0.7 0.4 0.2 0.7 0.3 0.2 0.3 0.3 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
3kzc.a
3kzk.a
3kzm.a
3kzn.a
3kzo.a
3l02.a
3m4j.a
3m4n.a
3m5c.a
3m5d.a
[1] 3kzc.a
0
0.7 0.8 0.8 0.8 0.8 0.7 0.8 0.8 0.8
[1] 3kzk.a 0.7
0
0.3 0.9 0.2 0.3 0.2 0.3 0.3 0.5
[1] 3kzm.a 0.8 0.3
0
0.9 0.3 0.3 0.3 0.4 0.4 0.3
[1] 3kzn.a 0.8 0.9 0.9
0
0.9 1.0 0.9 1.0 1.0 1.0
[1] 3kzo.a 0.8 0.2 0.3 0.9
0
0.2 0.1 0.2 0.2 0.4
[1] 3l02.a 0.8 0.3 0.3 1.0 0.2
0
0.2 0.2 0.2 0.4
[1] 3m4j.a 0.7 0.2 0.3 0.9 0.1 0.2
0
0.2 0.2 0.4
[1] 3m4n.a 0.8 0.3 0.4 1.0 0.2 0.2 0.2
0
0.1 0.4
[1] 3m5c.a 0.8 0.3 0.4 1.0 0.2 0.2 0.2 0.1
0
0.4
[1] 3m5d.a 0.8 0.5 0.3 1.0 0.4 0.4 0.4 0.4 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...