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ADCYA_HUMAN_1_469

Adenylate cyclase type 10 [Adenylyl cyclase class-4/guanylyl cyclase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ADCYA_HUMAN):D: Guanylate cyclase 2 (399, 400)
8, 10, 14, 15, 18, 250, 252, 253, 276, 277, 279, 281, 283
8, 10, 14, 15, 18, 250, 252, 253, 276, 277, 279, 281, 283, 399, 400

Full PDB list

4clf, 4clk, 4cll, 4clp, 4cls, 4clt, 4clu, 4clw, 4cly, 4clz, 4cm0, 4cm2, 4oya, 4oyb, 4oyi, 4oym, 4oyo, 4oyp, 4oyw, 4oyx, 4oyz, 4oz2, 4oz3, 4ust, 4usu, 4usv, 4usw, 5d0r, 5iv3, 5iv4 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
F
8
D
1
0
V
1
4
R
1
5
A
1
8
R
2
5
0
A
2
5
2
C
2
5
3
Q
2
7
6
I
2
7
7
N
2
7
9
Q
2
8
1
Q
2
8
3
T
3
9
9
V
4
0
0
[1]4clz.a 4ds28 . . . . . . . * . . . . . . .
[2]4oyw.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

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PDB.ch
A1
F
8
D
1
0
V
1
4
R
1
5
A
1
8
R
2
5
0
A
2
5
2
C
2
5
3
Q
2
7
6
I
2
7
7
N
2
7
9
Q
2
8
1
Q
2
8
3
T
3
9
9
V
4
0
0
[1]4clz.a . . . . . . . * . . . . . . .
[2]4oyw.a . . . . . . . cme . . . . * . .

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
4clz.a:4ds
4oyw.a is apo
[1] 4clz.a
0
-
[2] 4oyw.a 4.2
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
4clz.a
4oyw.a
[1] 4clz.a
0
.28
[2] 4oyw.a .28
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
4clz.a
4oyw.a
[1] 4clz.a
0
0.6
[2] 4oyw.a 0.6
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
4clz.a
4oyw.a
[1] 4clz.a
0
1.6
[2] 4oyw.a 1.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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