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EGTC_MYCS2_1_227

Gamma-glutamyl-hercynylcysteine sulfoxide hydrolase

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (EGTC_MYCS2):D: Glutamine amidotransferase type-2 (2, 35, 37:40, 88:92, 94, 114:116, 132:134, 164)2, 35, 37:40, 88:92, 94, 114:116, 132:134, 164
A2 (EGTC_MYCS2):D: Glutamine amidotransferase type-2 (30, 66)30, 66

Full PDB list

4zfj, 4zfk, 4zfl

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
C
2
H
3
7
G
3
8
L
3
9
M
4
0
R
8
8
S
8
9
A
9
0
T
9
1
I
9
2
M
9
4
N
1
1
4
G
1
1
5
L
1
1
6
V
1
3
2
D
1
3
3
S
1
3
4
R
1
6
4
Y
3
0
W
6
6
[1]4zfj.a none . . . . * . . . . . * . . . . . . . . .
[1]4zfk.b Q10 . . . . . . . . . . . . . . . . . . . .
[1]4zfl.a 4nk31 A . . . . . . . . . . . . . . . . . . .

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 A2
C
2
Q
3
5
H
3
7
G
3
8
L
3
9
M
4
0
R
8
8
S
8
9
A
9
0
T
9
1
I
9
2
M
9
4
N
1
1
4
G
1
1
5
L
1
1
6
V
1
3
2
D
1
3
3
S
1
3
4
R
1
6
4
Y
3
0
W
6
6
[1]4zfj.a . . . . . * . . . * . * . . . . . . . . .
[1]4zfk.b . . . . . . . . . * . . . . . . . . . . .
[1]4zfl.a 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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
4zfj.a is apo
4zfk.b:Q
4zfl.a:4nk
[1] 4zfj.a
-
0.3 2.6
[1] 4zfk.b -
0
2.2
[1] 4zfl.a - 0.1
0.1
[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
4zfj.a
4zfk.b
4zfl.a
[1] 4zfj.a
0
.05 .13
[1] 4zfk.b .05
0
.10
[1] 4zfl.a .13 .10
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
4zfj.a
4zfk.b
4zfl.a
[1] 4zfj.a
0
0.3 1.2
[1] 4zfk.b 0.3
0
1.1
[1] 4zfl.a 1.2 1.1
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

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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
4zfj.a
4zfk.b
4zfl.a
[1] 4zfj.a
0
0.8 1.5
[1] 4zfk.b 0.8
0
1.3
[1] 4zfl.a 1.5 1.3
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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