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BT3A1_HUMAN_326_513

Butyrophilin subfamily 3 member A1 [Immunoglobulin superfamily. BTN/MOG family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (BT3A1_HUMAN):D: B30.2/SPRY (423, 442, 444, 448, 499, 501)423, 442, 444, 448, 499, 501
A2 (BT3A1_HUMAN):D: B30.2/SPRY (357)357

Full PDB list

4n7i, 4n7u, 4v1p, 5hm7, 5lyg, 5lyk (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
R
4
4
2
L
4
4
4
R
4
4
8
R
4
9
9
L
5
0
1
E
3
5
7
[1]4n7u.a 2ja15 . . . . . .
[1]5hm7.b none . . . . . .
[1]5lyg.a mli7 . . . . . .

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 A2
K
4
2
3
R
4
4
2
L
4
4
4
R
4
4
8
R
4
9
9
L
5
0
1
E
3
5
7
[1]4n7u.a . . . . . . .
[1]5hm7.b . . . . . . .
[1]5lyg.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
4n7u.a:2ja
5hm7.b is apo
5lyg.a:mli
[1] 4n7u.a
0.2
- 0.1
[1] 5hm7.b 0.4
-
0.1
[1] 5lyg.a 0.3 -
0
[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
4n7u.a
5hm7.b
5lyg.a
[1] 4n7u.a
0
.03 .04
[1] 5hm7.b .03
0
.01
[1] 5lyg.a .04 .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

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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
4n7u.a
5hm7.b
5lyg.a
[1] 4n7u.a
0
0.1 0.3
[1] 5hm7.b 0.1
0
0.3
[1] 5lyg.a 0.3 0.3
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
4n7u.a
5hm7.b
5lyg.a
[1] 4n7u.a
0
0.4 0.6
[1] 5hm7.b 0.4
0
0.5
[1] 5lyg.a 0.6 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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