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Receptor
PDB id Resolution Class Description Source Keywords
1JNQ 2.1 Å EC: 1.13.11.12 LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC GLYCINE MAX METALLOPROTEIN FE(II) COMPLEX PURPLE LIPOXYGENASE CATECHIINHIBITOR GREEN TEA OXIDOREDUCTASE
Ref.: INHIBITION OF LIPOXYGENASE BY (-)-EPIGALLOCATECHIN X-RAY ANALYSIS AT 2.1 A REVEALS DEGRADATION OF EGCG SHOWS SOYBEAN LOX-3 COMPLEX WITH EGC INSTEAD. INT.J.MOL.MED. V. 12 415 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EGT A:871;
Valid;
none;
submit data
306.267 C15 H14 O7 c1c(c...
FE2 A:858;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JNQ 2.1 Å EC: 1.13.11.12 LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC GLYCINE MAX METALLOPROTEIN FE(II) COMPLEX PURPLE LIPOXYGENASE CATECHIINHIBITOR GREEN TEA OXIDOREDUCTASE
Ref.: INHIBITION OF LIPOXYGENASE BY (-)-EPIGALLOCATECHIN X-RAY ANALYSIS AT 2.1 A REVEALS DEGRADATION OF EGCG SHOWS SOYBEAN LOX-3 COMPLEX WITH EGC INSTEAD. INT.J.MOL.MED. V. 12 415 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N8Q - DHB C7 H6 O4 c1cc(c(cc1....
2 1JNQ - EGT C15 H14 O7 c1c(cc(c(c....
3 1HU9 - 4HM C7 H8 O4 COc1cc(ccc....
4 1NO3 - 4NC C6 H5 N O4 c1cc(c(cc1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N8Q - DHB C7 H6 O4 c1cc(c(cc1....
2 1JNQ - EGT C15 H14 O7 c1c(cc(c(c....
3 1HU9 - 4HM C7 H8 O4 COc1cc(ccc....
4 1NO3 - 4NC C6 H5 N O4 c1cc(c(cc1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N8Q - DHB C7 H6 O4 c1cc(c(cc1....
2 1JNQ - EGT C15 H14 O7 c1c(cc(c(c....
3 1HU9 - 4HM C7 H8 O4 COc1cc(ccc....
4 1NO3 - 4NC C6 H5 N O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EGT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 EGT 1 1
2 28E 0.644068 1
3 KXN 0.644068 1
4 KDH 0.5 0.882353
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JNQ; Ligand: EGT; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 1jnq.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4JKV 1KS 1.68421
3 3LN0 52B 1.70358
4 4C3Y ANB 2.07547
5 4C3Y FAD 2.07547
6 3C8E GSH 2.08333
7 4Q0A 4OA 2.31788
8 5LGA 6VH 2.33333
9 2GPT TLA 2.86807
10 4TX6 38B 2.90323
11 4W6Z ETF 3.17003
12 4TUZ 36J 3.52941
13 4MG8 27J 3.52941
14 5AAV GW5 3.96825
15 1TZD ADP 4
16 4JGT PYR 4.01338
17 2CI5 HCS 4.22535
18 4JX1 CAM 4.42478
19 1P72 THM 4.49102
20 4FMJ SIA GAL 4.49827
21 4FMJ SIA 4.49827
22 2XMY CDK 4.69799
23 3B6C SDN 4.70085
24 6BR8 PGV 4.7619
25 1RZM E4P 5.02959
26 5CSD ACD 5.03145
27 2OG7 SIN 5.04202
28 1WRA PC 5.19481
29 3PMD 11A 5.22876
30 1I0B PEL 5.42169
31 1MFA GLA MMA ABE 5.51181
32 5OLZ T4E 5.99078
33 4IN9 SER TRP PHE PRO 6.0241
34 5NTP 98E 6.30252
35 5OCM 9RH 6.52921
36 3G3N TC8 6.60377
37 1PK8 ATP 6.63507
38 3V2Q PLM 6.66667
39 5JDA AMP 6.68524
40 5CX8 RP3 6.86071
41 4V3I ASP LEU THR ARG PRO 7.393
42 6F9G PUT 7.47664
43 1XVB BHL 7.71208
44 2CYC TYR 7.73333
45 5LX9 OLB 8.4507
46 5WL1 D3D 9.09091
47 5WL1 CUY 9.09091
48 5C9J DAO 9.09091
49 3SFI 3SF 9.32203
50 2IOY RIP 9.54064
51 4WGF HX2 9.7561
52 3VRV YSD 9.9631
53 5ODQ FAD 10
54 1MID LAP 10.989
55 4ITU 1HS 11.8959
56 3HUJ AGH 12.4402
57 3QUZ QUV 12.4402
58 1ZEI CRS 15.0943
59 2XN3 ID8 25
60 1LOX RS7 34.8943
61 3V99 ACD 35.3111
62 4QWT ACD 36.0632
63 3RDE OYP 39.4415
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