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 2 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 2 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 2 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 (2D)
Ligand no: 1; Ligand: EGT; Similar ligands found: 5
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
5 XEG 0.402439 0.882353
Similar Ligands (3D)
Ligand no: 1; Ligand: EGT; Similar ligands found: 13
No: Ligand Similarity coefficient
1 6JP 0.9348
2 SAK 0.9226
3 HWB 0.9203
4 3JC 0.8981
5 DFV 0.8980
6 MYU 0.8952
7 DFL 0.8871
8 XDH 0.8870
9 361 0.8739
10 C8Z 0.8673
11 IEE 0.8618
12 0QR 0.8606
13 CW6 0.8603
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1jnq.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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