Receptor
PDB id Resolution Class Description Source Keywords
2WDQ 2.4 Å EC: 1.3.99.1 E. COLI SUCCINATE:QUINONE OXIDOREDUCTASE (SQR) WITH CARBOXIN BOUND ESCHERICHIA COLI SUCCINATE DEHYDROGENASE ACTIVITY CELL INNER MEMBRANE TRICAACID CYCLE CELL MEMBRANE METAL-BINDING TRANSMEMBRANE TRIRON-SULFUR FLAVOPROTEIN OXIDOREDUCTASE ELECTRON TRANSPOIRON HEME MEMBRANE
Ref.: STRUCTURE OF ESCHERICHIA COLI SUCCINATE:QUINONE OXIDOREDUCTASE WITH AN OCCUPIED AND EMPTY QUINONE-SITE. J.BIOL.CHEM. V. 284 29836 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CBE C:1130;
G:1130;
K:1130;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
235.302 C12 H13 N O2 S CC1=C...
F3S B:304;
F:304;
J:304;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
295.795 Fe3 S4 S1[Fe...
FAD A:601;
E:601;
I:601;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES B:302;
F:302;
J:302;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
HEM C:1129;
G:1129;
K:1129;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
NA A:1590;
E:1590;
I:1590;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
SF4 B:303;
F:303;
J:303;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
SO4 A:1591;
E:1591;
I:1591;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TEO A:1589;
E:1589;
I:1589;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
132.072 C4 H4 O5 C(=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WDQ 2.4 Å EC: 1.3.99.1 E. COLI SUCCINATE:QUINONE OXIDOREDUCTASE (SQR) WITH CARBOXIN BOUND ESCHERICHIA COLI SUCCINATE DEHYDROGENASE ACTIVITY CELL INNER MEMBRANE TRICAACID CYCLE CELL MEMBRANE METAL-BINDING TRANSMEMBRANE TRIRON-SULFUR FLAVOPROTEIN OXIDOREDUCTASE ELECTRON TRANSPOIRON HEME MEMBRANE
Ref.: STRUCTURE OF ESCHERICHIA COLI SUCCINATE:QUINONE OXIDOREDUCTASE WITH AN OCCUPIED AND EMPTY QUINONE-SITE. J.BIOL.CHEM. V. 284 29836 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2WDQ - TEO C4 H4 O5 C(=C(O)/[O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2WDQ - TEO C4 H4 O5 C(=C(O)/[O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WDQ - TEO C4 H4 O5 C(=C(O)/[O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CBE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CBE 1 1
Ligand no: 2; Ligand: TEO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TEO 1 1
2 TTN 0.409091 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WDQ; Ligand: CBE; 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: 2wdq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WDQ; Ligand: TEO; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 2wdq.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN SIN 32.6531
Pocket No.: 3; Query (leader) PDB : 2WDQ; Ligand: CBE; 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: 2wdq.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2WDQ; Ligand: TEO; 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: 2wdq.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2WDQ; Ligand: TEO; 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: 2wdq.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2WDQ; Ligand: CBE; 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: 2wdq.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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