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Receptor
PDB id Resolution Class Description Source Keywords
2H89 2.4 Å EC: 1.3.5.1 AVIAN RESPIRATORY COMPLEX II WITH MALONATE BOUND GALLUS GALLUS COMPLEX II MEMBRANE PROTEIN HEME PROTEIN IRON SULFUR PROTCYTOCHROME B OXIDOREDUCTASE REDOX ENZYME RESPIRATORY CHAMALONATE 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHG C:141;
Invalid;
none;
submit data
264.315 C12 H24 O6 CCCCC...
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...
HEM C:142;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
K A:622;
B:253;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
MLI A:1002;
Valid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
PEE C:143;
D:105;
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...
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:1005;
B:1006;
B:1007;
B:1008;
B:1009;
B:1010;
B:1011;
B:1012;
B:1013;
B:1014;
C:144;
C:145;
C:146;
C:147;
C:148;
C:149;
C:150;
C:151;
C:152;
D:109;
D:110;
D:122;
D:125;
D:132;
D:142;
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;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
n/a NULL NULL
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: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
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: 52
This union binding pocket(no: 1) in the query (biounit: 2h88.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2R75 01G 4.36508
2 3B6R CRN 5.71429
3 1N71 COA 6.66667
4 2RHO GSP 6.79612
5 1PVN MZP 6.79612
6 5MJI 7O6 7.00389
7 3LF0 ATP 7.01754
8 2Z49 AMG 7.93651
9 2Z48 NGA 7.93651
10 6BQ6 TER 8.45921
11 4WUP 3UF 8.57143
12 5UIJ TYD 9.28571
13 5NJI 8Z2 10
14 4YS0 ADP 10
15 4AVV CD 10.6796
16 1OFU GDP 10.6796
17 2YN4 39J 10.7143
18 2CWH PYC 10.7143
19 2CWH NDP 10.7143
20 2JC9 ADN 11.1111
21 4PU5 ANP 11.5079
22 5DNK SAH 11.9048
23 2DJH 3PD UM3 12.1429
24 1NF3 GNP 12.5
25 1VQ2 DDN 12.6214
26 1EXF GLY 12.6214
27 6BE0 COA 12.8571
28 5UFN SAH 12.8571
29 6HL7 CP 13.5714
30 1U3U NAD 13.5922
31 1U3U BNF 13.5922
32 3SRV S19 13.5922
33 1YY5 FAD 14.2857
34 1J0D 5PA 14.5631
35 1DUB CAA 14.5631
36 1D4O NAP 14.6739
37 3VC3 C6P 15.0794
38 2X06 NAD 15.534
39 4ZFL 4NK 15.534
40 2WME NAP 16.5049
41 1D6S MET PLP 17.4757
42 2FXU BID 17.8571
43 3LAD FAD 19.4175
44 1FQJ ALF 23.8095
45 4K49 HFQ 25
46 5BO9 SIA GAL NGS 30.7143
47 5ZYN SIN 32.3671
48 1Q9I FAD 32.3993
49 1Q9I TEO 32.3993
50 1QO8 FAD 32.6855
51 1D4D SIN 32.8671
52 2BS3 CIT 48.6312
Pocket No.: 2; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 2h88.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4Y9J FAD 4.28571
2 4I9B NAD 5
3 3WQQ IB3 6.79612
4 3WQQ NDP 6.79612
5 1SQL GUN 8.21918
6 6EOM ALA LYS 8.57143
7 5N9Z CAP 9.12698
8 2RDT FMN 9.70874
9 1JQ3 AAT 10
10 4AVV GHE 10.6796
11 4L1F FAD 12.8571
12 3NUG NAD 14.2857
13 4U7W NDP 14.2857
14 1QH9 LAC 14.2857
15 1LDN NAD 14.6825
16 5GSN FAD 15.011
17 3HCH RSM 15.534
18 2C6Q NDP 20.7143
19 5UIU 8CG 21.4286
20 1KNR FAD 44.2593
Pocket No.: 3; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 2h88.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3P2E SAH 3.55556
2 1U2Z SAH 5.82524
3 1D4D FAD 32.8671
Pocket No.: 4; Query (leader) PDB : 2H88; 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: 2h88.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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