Receptor
PDB id Resolution Class Description Source Keywords
3HYW 2 Å EC: 1.8.5.- 3-D X-RAY STRUCTURE OF THE SULFIDE:QUINONE OXIDOREDUCTASE OF THE HYPERTHERMOPHILIC BACTERIUM AQUIFEX AEOLICUS IN COMPLEXW ITH DECYLUBIQUINONE AQUIFEX AEOLICUS MONOTOPIC MEMBRANE PROTEIN FLAVOPROTEIN POLYSULFUR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF AQUIFEX AEOLICUS SULFIDE:QUINONE OXIDOREDUCTASE, A BASIS TO UNDERSTAND SULFIDE DETOXIFICATION AND RESPIRATION PROC.NATL.ACAD.SCI.USA V. 106 9625 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCQ A:500;
B:500;
C:500;
D:500;
E:500;
F:500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
322.439 C19 H30 O4 CCCCC...
FAD H2S A:441;
B:441;
C:441;
D:441;
E:441;
F:441;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data n/a n/a n/a n/a
LMT A:600;
B:600;
C:600;
D:600;
E:600;
F:600;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
510.615 C24 H46 O11 CCCCC...
PS9 A:800;
B:800;
B:802;
C:800;
D:800;
D:802;
E:800;
F:800;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
256.52 S8 S1SSS...
SO4 A:431;
A:432;
A:433;
A:434;
A:435;
B:431;
B:432;
B:433;
B:434;
C:431;
C:432;
C:433;
C:434;
D:431;
D:432;
D:433;
D:434;
E:432;
E:433;
E:434;
F:431;
F:432;
F:433;
F:434;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HYW 2 Å EC: 1.8.5.- 3-D X-RAY STRUCTURE OF THE SULFIDE:QUINONE OXIDOREDUCTASE OF THE HYPERTHERMOPHILIC BACTERIUM AQUIFEX AEOLICUS IN COMPLEXW ITH DECYLUBIQUINONE AQUIFEX AEOLICUS MONOTOPIC MEMBRANE PROTEIN FLAVOPROTEIN POLYSULFUR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF AQUIFEX AEOLICUS SULFIDE:QUINONE OXIDOREDUCTASE, A BASIS TO UNDERSTAND SULFIDE DETOXIFICATION AND RESPIRATION PROC.NATL.ACAD.SCI.USA V. 106 9625 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HYW - DCQ C19 H30 O4 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HYW - DCQ C19 H30 O4 CCCCCCCCCC....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3T2Z - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3T2Y - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3SXI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3SZW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 3KPK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3SY4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3T14 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3SYI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3SZF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3T2K - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3T0K - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 3SZC - DCQ C19 H30 O4 CCCCCCCCCC....
13 3T31 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 3SX6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3SZ0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3HYW - DCQ C19 H30 O4 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCQ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DCQ 1 1
2 UQ1 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3HYW; Ligand: DCQ; 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: 3hyw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback