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AL1L1_HUMAN_1_307

Cytosolic 10-formyltetrahydrofolate dehydrogenase

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AL1L1_HUMAN):R: GART (83, 86:90, 92, 95, 104, 135, 138, 140, 142)
R: Substrate binding (88:90)
83, 86:90, 92, 95, 104, 135, 138, 140, 142

Full PDB list

1s3i, 2bw0, 2cfi

Pocket contact map

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PDB.ch
   
ligand
A1
L
8
3
C
8
6
S
8
7
Q
8
8
F
8
9
I
9
0
M
9
2
I
9
5
I
1
0
4
F
1
3
5
G
1
4
0
D
1
4
2
[1]1s3i.a none . . . . . . . . . . . .
[1]2bw0.a none . . . . . . . . . . . .
[1]2cfi.a zzz14 . . . . . . . . . . . .

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
L
8
3
C
8
6
S
8
7
Q
8
8
F
8
9
I
9
0
M
9
2
I
9
5
I
1
0
4
F
1
3
5
D
1
3
8
G
1
4
0
D
1
4
2
[1]1s3i.a . . . . . . . . . . . . .
[1]2bw0.a . . . . . . . . . . . . .
[1]2cfi.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
1s3i.a is apo
2bw0.a is apo
2cfi.a:zzz
[1] 1s3i.a
-
- 0.3
[1] 2bw0.a -
-
0.5
[1] 2cfi.a - -
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
1s3i.a
2bw0.a
2cfi.a
[1] 1s3i.a
0
.06 .02
[1] 2bw0.a .06
0
.04
[1] 2cfi.a .02 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
1s3i.a
2bw0.a
2cfi.a
[1] 1s3i.a
0
1.4 0.9
[1] 2bw0.a 1.4
0
1.4
[1] 2cfi.a 0.9 1.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.9 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
1s3i.a
2bw0.a
2cfi.a
[1] 1s3i.a
0
1.7 1.1
[1] 2bw0.a 1.7
0
1.7
[1] 2cfi.a 1.1 1.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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