Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZI A:623;
N:623;
Invalid;
Invalid;
none;
none;
submit data
42.02 N3 [N-]=...
BHG C:141;
P:205;
Invalid;
Invalid;
none;
none;
submit data
264.315 C12 H24 O6 CCCCC...
F3S B:1004;
O:1004;
Part of Protein;
Part of Protein;
none;
none;
submit data
295.795 Fe3 S4 S1[Fe...
FAD A:1001;
N:1001;
Invalid;
Invalid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES B:1002;
O:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GOL B:1009;
O:1009;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEM C:142;
P:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
K A:622;
B:253;
N:622;
O:253;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
SF4 B:1003;
O:1003;
Part of Protein;
Part of Protein;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
TEO A:1002;
N:1002;
Valid;
Valid;
none;
none;
submit data
132.072 C4 H4 O5 C(=C(...
UNL A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
A:1008;
B:1007;
B:1008;
C:143;
C:144;
C:145;
C:146;
C:147;
C:148;
C:149;
C:237;
C:238;
D:107;
D:108;
D:114;
D:116;
D:119;
D:249;
D:250;
D:251;
D:252;
D:253;
D:254;
N:1003;
N:1004;
N:1005;
N:1006;
N:1007;
N:1008;
N:1009;
N:1010;
N:1011;
N:1012;
O:1007;
O:1008;
P:208;
P:209;
P:214;
P:215;
P:216;
P:217;
P:220;
P:229;
P:230;
P:231;
P:232;
P:240;
P:241;
P:242;
Q:212;
Q:213;
Q:218;
Q:219;
Q:228;
Q:256;
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;
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;
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
UNL UNL B:1005;
O:1005;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
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: 34
This union binding pocket(no: 1) in the query (biounit: 2h88.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R75 01G 0.02403 0.40921 4.36508
2 3B6R CRN 0.01576 0.40821 5.71429
3 1N71 COA 0.01297 0.41242 6.66667
4 2RHO GSP 0.02034 0.40887 6.79612
5 3LF0 ATP 0.0155 0.41186 7.01754
6 4WUP 3UF 0.01685 0.43783 8.57143
7 1EM6 NBG 0.04707 0.40786 8.73786
8 5NJI 8Z2 0.03137 0.40191 10
9 4YS0 ADP 0.01834 0.40128 10
10 1OFU GDP 0.01761 0.40576 10.6796
11 2CWH PYC 0.03014 0.40988 10.7143
12 2CWH NDP 0.02465 0.40988 10.7143
13 4PU5 ANP 0.02447 0.40181 11.5079
14 5DNK SAH 0.006903 0.41331 11.9048
15 2DJH 3PD UM3 0.02008 0.4029 12.1429
16 1NF3 GNP 0.02628 0.40318 12.5
17 1VQ2 DDN 0.006322 0.42415 12.6214
18 1U3U BNF 0.03547 0.41458 13.5922
19 1U3U NAD 0.03547 0.41458 13.5922
20 3SRV S19 0.01595 0.40235 13.5922
21 1J0D 5PA 0.01286 0.4219 14.5631
22 1D4O NAP 0.03331 0.40056 14.6739
23 2X06 NAD 0.02244 0.40945 15.534
24 4ZFL 4NK 0.02606 0.40041 15.534
25 2WME NAP 0.01363 0.40954 16.5049
26 1D6S MET PLP 0.01312 0.41709 17.4757
27 4K49 HFQ 0.04273 0.40182 25
28 5BO9 SIA GAL NGS 0.01699 0.42074 30.7143
29 1Q9I TEO 0.00000000007723 0.90153 32.3993
30 1QO8 FAD 0.01064 0.44289 32.6855
31 1D4D SIN 0.00000000004113 0.77888 32.8671
32 1D4D FAD 0.001431 0.49065 32.8671
33 1KNR FAD 0.0241 0.42194 44.2593
34 2BS3 CIT 0.000004707 0.57494 48.6312
Pocket No.: 2; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2h88.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 2h88.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GDQ ADP 0.02315 0.40598 5.71429
2 1JQ3 AAT 0.005611 0.43505 10
Pocket No.: 4; Query (leader) PDB : 2H88; Ligand: TEO; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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