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BLVRB_HUMAN_1_206

Flavin reductase (NADPH)

Composition of the binding site

Protein chains monomer
A1 (BLVRB_HUMAN):77:79, 81, 111:113, 116, 124, 125, 128, 132, 151:153, 17477:79, 81, 111:113, 116, 124, 125, 128, 132, 151:153, 174
Cofactors (cF):nap

Full PDB list

1hdo, 1he2, 1he3, 1he4, 1he5, 5oog, 5ooh

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
T
7
7
R
7
8
N
7
9
L
8
1
S
1
1
1
A
1
1
2
F
1
1
3
W
1
1
6
R
1
2
4
L
1
2
5
V
1
2
8
H
1
3
2
P
1
5
1
P
1
5
2
H
1
5
3
R
1
7
4
[1]1hdo.a none . . . . . . . . . . . . . . . . nap
[1]1he2.a bla17 . . . . . . . . . . . . . . . . nap
[1]1he3.a mbv29 . . . . . . . . . . . . . . . . nap
[1]1he4.a fmn19 . . . . . . . . . . . . . . . . nap
[1]1he5.a lum18 . . . . . . . . . . . . . . . . nap
[1]5oog.a a0b21 . . . . . . . . . . . . . . . . nap
[1]5ooh.a 9zz29 . . . . . . . . . . . . . . . . nap

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 cF
T
7
7
R
7
8
N
7
9
L
8
1
S
1
1
1
A
1
1
2
F
1
1
3
W
1
1
6
R
1
2
4
L
1
2
5
V
1
2
8
H
1
3
2
P
1
5
1
P
1
5
2
H
1
5
3
R
1
7
4
[1]1hdo.a . . . . . . . . . . . . . . . . nap
[1]1he2.a . . . . . . . . . . . . . . . . nap
[1]1he3.a . . . . . . . . . . . . . . . . nap
[1]1he4.a . . . . . . . . . . . . . . . . nap
[1]1he5.a . . . . . . . . . . . . . . . . nap
[1]5oog.a . . . . . . . . . . . . . . . . nap
[1]5ooh.a . . . . . . . . . . . . . . . . nap

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
1hdo.a is apo
1he2.a:bla
1he3.a:mbv
1he4.a:fmn
1he5.a:lum
5oog.a:a0b
5ooh.a:9zz
[1] 1hdo.a
-
0 0.2 0 0 0 0.1
[1] 1he2.a -
0
0.2 0 0 0 0
[1] 1he3.a - 0
0.2
0 0 0 0
[1] 1he4.a - 0 0.2
0
0 0 0
[1] 1he5.a - 0 0.2 0
0
0 0.1
[1] 5oog.a - 0 0.1 0 0
0
0
[1] 5ooh.a - 0 1.2 0.1 0.1 0.1
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
1hdo.a
1he2.a
1he3.a
1he4.a
1he5.a
5oog.a
5ooh.a
[1] 1hdo.a
0
0 0 0 0 .01 .08
[1] 1he2.a 0
0
0 0 0 .01 .08
[1] 1he3.a 0 0
0
0 0 .01 .08
[1] 1he4.a 0 0 0
0
0 .01 .08
[1] 1he5.a 0 0 0 0
0
.01 .08
[1] 5oog.a .01 .01 .01 .01 .01
0
.08
[1] 5ooh.a .08 .08 .08 .08 .08 .08
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
1hdo.a
1he2.a
1he3.a
1he4.a
1he5.a
5oog.a
5ooh.a
[1] 1hdo.a
0
0.1 0.1 0.1 0.1 0.2 0.5
[1] 1he2.a 0.1
0
0.1 0.1 0.1 0.1 0.5
[1] 1he3.a 0.1 0.1
0
0.1 0.1 0.1 0.5
[1] 1he4.a 0.1 0.1 0.1
0
0.1 0.1 0.5
[1] 1he5.a 0.1 0.1 0.1 0.1
0
0.2 0.5
[1] 5oog.a 0.2 0.1 0.1 0.1 0.2
0
0.5
[1] 5ooh.a 0.5 0.5 0.5 0.5 0.5 0.5
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

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1hdo.a
1he2.a
1he3.a
1he4.a
1he5.a
5oog.a
5ooh.a
[1] 1hdo.a
0
0.2 0.2 0.2 0.2 0.5 0.8
[1] 1he2.a 0.2
0
0.2 0.2 0.2 0.4 0.8
[1] 1he3.a 0.2 0.2
0
0.2 0.1 0.4 0.8
[1] 1he4.a 0.2 0.2 0.2
0
0.1 0.4 1.0
[1] 1he5.a 0.2 0.2 0.1 0.1
0
0.3 0.8
[1] 5oog.a 0.5 0.4 0.4 0.4 0.3
0
0.7
[1] 5ooh.a 0.8 0.8 0.8 1.0 0.8 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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