Receptor
PDB id Resolution Class Description Source Keywords
5FLJ 1.82 Å EC: 1.13.11.24 ENZYME-SUBSTRATE-DIOXYGEN COMPLEX OF NI-QUERCETINASE STREPTOMYCES SP. OXIDOREDUCTASE DIOXYGENASE NICKEL STREPTOMYCES NI-QUERCEDIOXYGEN
Ref.: QUERCETIN 2,4-DIOXYGENASE ACTIVATES DIOXYGEN IN A S O2 -NI COMPLEX. ANGEW.CHEM.INT.ED.ENGL. V. 55 3281 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI F:300;
C:300;
D:300;
H:300;
K:300;
E:300;
G:300;
I:300;
B:300;
L:300;
J:300;
A:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
DMS D:1186;
L:1186;
G:1186;
F:1186;
K:1186;
A:1185;
H:1186;
D:1188;
D:1187;
B:1186;
J:1186;
H:1187;
I:1186;
E:1186;
E:1187;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
QUE D:301;
C:301;
B:301;
E:301;
A:301;
G:301;
I:301;
H:301;
F:301;
J:301;
K:301;
L:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
302.236 C15 H10 O7 c1cc(...
OXY C:302;
F:302;
Invalid;
Invalid;
none;
none;
submit data
31.999 O2 O=O
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FLJ 1.82 Å EC: 1.13.11.24 ENZYME-SUBSTRATE-DIOXYGEN COMPLEX OF NI-QUERCETINASE STREPTOMYCES SP. OXIDOREDUCTASE DIOXYGENASE NICKEL STREPTOMYCES NI-QUERCEDIOXYGEN
Ref.: QUERCETIN 2,4-DIOXYGENASE ACTIVATES DIOXYGEN IN A S O2 -NI COMPLEX. ANGEW.CHEM.INT.ED.ENGL. V. 55 3281 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5FLJ - QUE C15 H10 O7 c1cc(c(cc1....
2 5FLI - QUE C15 H10 O7 c1cc(c(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5FLJ - QUE C15 H10 O7 c1cc(c(cc1....
2 5FLI - QUE C15 H10 O7 c1cc(c(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5FLJ - QUE C15 H10 O7 c1cc(c(cc1....
2 5FLI - QUE C15 H10 O7 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: QUE; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 QUE 1 1
2 KMP 0.678571 0.967742
3 MYC 0.649123 1
4 MYU 0.57377 1
5 MRI 0.557377 0.967742
6 FSE 0.52459 0.967742
7 6JM 0.516129 0.967742
8 CC6 0.515625 0.967742
9 QCT 0.481013 0.885714
10 LU2 0.454545 1
11 NRA 0.40625 0.903226
12 RUT 0.402062 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5flj.bio5) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5flj.bio5) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5flj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5flj.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5flj.bio4) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5flj.bio4) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5flj.bio6) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5flj.bio6) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5flj.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5flj.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5flj.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5FLJ; Ligand: QUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5flj.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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