Receptor
PDB id Resolution Class Description Source Keywords
1YQ3 2.2 Å EC: 1.3.5.1 AVIAN RESPIRATORY COMPLEX II WITH OXALOACETATE AND UBIQUINON GALLUS GALLUS COMPLEX II MEMBRANE PROTEIN HEME PROTEIN IRON SULFUR PROTCYTOCHROME B OXIDOREDUCTASE REDOX ENZYME RESPIRATORY CHAOXALOACETATE UBIQUINONE
Ref.: 3-NITROPROPIONIC ACID IS A SUICIDE INHIBITOR OF MITOCHONDRIAL RESPIRATION THAT, UPON OXIDATION BY C II, FORMS A COVALENT ADDUCT WITH A CATALYTIC BASE A IN THE ACTIVE SITE OF THE ENZYME J.BIOL.CHEM. V. 281 5965 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F3S B:1004;
Part of Protein;
none;
submit data
295.795 Fe3 S4 S1[Fe...
FAD A:1001;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES B:1002;
Part of Protein;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GOL B:1012;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEM C:143;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PEE C:144;
D:104;
Invalid;
Invalid;
none;
none;
submit data
749.073 C41 H83 N O8 P CCCCC...
SF4 B:1003;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
TEO A:1002;
Valid;
none;
submit data
132.072 C4 H4 O5 C(=C(...
UNL A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
A:1008;
A:1009;
A:1010;
A:1011;
A:1012;
A:1013;
A:1014;
A:1015;
A:1016;
A:1017;
B:1006;
B:1007;
B:1008;
B:1009;
B:1010;
B:1011;
C:203;
C:211;
C:212;
C:226;
D:204;
D:205;
D:209;
D:218;
D:228;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
submit data
n/a NULL NULL
UQ B:1005;
Invalid;
none;
submit data
863.343 C59 H90 O4 CC1=C...
JZR C:142;
Invalid;
none;
submit data
264.315 C12 H24 O6 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H88 1.74 Å EC: 1.3.5.1 AVIAN MITOCHONDRIAL RESPIRATORY COMPLEX II AT 1.8 ANGSTROM R GALLUS GALLUS COMPLEX II MEMBRANE PROTEIN HEME PROTEIN IRON SULFUR PROTCYTOCHROME B OXIDOREDUCTASE REDOX ENZYME RESPIRATORY CHAOXALOACETATE UBIQUINONE
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF LIGANDS DICARBOXYLATE SITE OF COMPLEX II, AND THE IDENTITY LIGAND IN THE BIOCHIM.BIOPHYS.ACTA V.1757 1073
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YQ3 - TEO C4 H4 O5 C(=C(O)/[O....
2 2H89 - MLI C3 H2 O4 C(C(=O)[O-....
3 2H88 - TEO C4 H4 O5 C(=C(O)/[O....
4 2FBW - CBE C12 H13 N O2 S CC1=C(SCCO....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YQ3 - TEO C4 H4 O5 C(=C(O)/[O....
2 2H89 - MLI C3 H2 O4 C(C(=O)[O-....
3 2H88 - TEO C4 H4 O5 C(=C(O)/[O....
4 2FBW - CBE C12 H13 N O2 S CC1=C(SCCO....
5 1ZOY - UQ1 C14 H18 O4 CC1=C(C(=O....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YQ3 - TEO C4 H4 O5 C(=C(O)/[O....
2 2H89 - MLI C3 H2 O4 C(C(=O)[O-....
3 2H88 - TEO C4 H4 O5 C(=C(O)/[O....
4 2FBW - CBE C12 H13 N O2 S CC1=C(SCCO....
5 1ZOY - UQ1 C14 H18 O4 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 2H88; Ligand: TEO; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2h88.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN SIN 32.3671
2 1Q9I FAD 32.3993
3 1Q9I TEO 32.3993
4 1D4D SIN 32.8671
Pocket No.: 2; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 2h88.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN SIN 32.3671
2 1Q9I FAD 32.3993
3 1Q9I TEO 32.3993
4 1D4D SIN 32.8671
Pocket No.: 3; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 2h88.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN SIN 32.3671
2 1Q9I TEO 32.3993
3 1Q9I FAD 32.3993
4 1D4D SIN 32.8671
Pocket No.: 4; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 2h88.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN SIN 32.3671
2 1Q9I TEO 32.3993
3 1Q9I FAD 32.3993
4 1D4D SIN 32.8671
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