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ENTC_ECOLI_1_391

Isochorismate synthase EntC [Isochorismate synthase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ENTC_ECOLI):R: Substrate (214, 215)
197, 212, 213, 241, 276, 303, 304, 346, 347, 359:363, 376, 380
197, 212:215, 241, 276, 303, 304, 346, 347, 359:363, 376, 380
Metals (Me):Fe/Mg

Full PDB list

3hwo, 5jxz, 5jy4, 5jy8, 5jzd (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
E
1
9
7
L
2
1
2
A
2
1
3
G
2
1
4
S
2
1
5
E
2
4
1
H
2
7
6
A
3
0
3
L
3
0
4
I
3
4
6
R
3
4
7
F
3
5
9
A
3
6
0
G
3
6
1
A
3
6
2
G
3
6
3
E
3
7
6
K
3
8
0
[1]5jxz.a isc,isj32 . . . . . . . . . . . . . . . . . . Mg
[1]5jy4.a isc16 . . . . . . . . . . . . . . . . . . Mg
[1]5jy8.a isj16 . . . . . . . . . . . . . . . . . . Fe

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
E
1
9
7
L
2
1
2
A
2
1
3
G
2
1
4
S
2
1
5
E
2
4
1
H
2
7
6
A
3
0
3
L
3
0
4
I
3
4
6
R
3
4
7
F
3
5
9
A
3
6
0
G
3
6
1
A
3
6
2
G
3
6
3
E
3
7
6
K
3
8
0
[1]5jxz.a . . . . . . . . . . . . . . . . . . Mg
[1]5jy4.a . . . . . . . . . . . . . . . . . . Mg
[1]5jy8.a . . . . . . . . . . . . . . . . . . Fe

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
5jxz.a:isc,isj
5jy4.a:isc
5jy8.a:isj
[1] 5jxz.a
0.3
0 0.6
[1] 5jy4.a 0.3
0
0.7
[1] 5jy8.a 0.2 0
0.4
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
5jxz.a
5jy4.a
5jy8.a
[1] 5jxz.a
0
.02 .01
[1] 5jy4.a .02
0
.02
[1] 5jy8.a .01 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
5jxz.a
5jy4.a
5jy8.a
[1] 5jxz.a
0
0.1 0.2
[1] 5jy4.a 0.1
0
0.2
[1] 5jy8.a 0.2 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
5jxz.a
5jy4.a
5jy8.a
[1] 5jxz.a
0
0.3 0.2
[1] 5jy4.a 0.3
0
0.4
[1] 5jy8.a 0.2 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

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