Receptor
PDB id Resolution Class Description Source Keywords
5CJH 1.6 Å EC: 1.11.1.21 CRYSTAL STRUCTURE OF EUKARYOTIC OXOIRON MAGKATG2 AT PH 8.5 MAGNAPORTHE ORYZAE (STRAIN 70-15 / ATC4617 / FGSC 8958) OXIDOREDUCTASE COMPOUND I OXOIRON CATALASE-PEROXIDASE
Ref.: EUKARYOTIC CATALASE-PEROXIDASE: THE ROLE OF THE TRP ADDUCT IN PROTEIN STABILITY, SUBSTRATE ACCESSIBILIT CATALYSIS OF HYDROGEN PEROXIDE DISMUTATION. BIOCHEMISTRY V. 54 5425 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
522 B:801;
A:801;
Valid;
Valid;
none;
none;
Kd = 14.4 uM
650.502 C34 H34 Fe N4 O6 Cc1c2...
OH B:802;
A:802;
Invalid;
Invalid;
none;
none;
submit data
17.007 H O [OH-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CJH 1.6 Å EC: 1.11.1.21 CRYSTAL STRUCTURE OF EUKARYOTIC OXOIRON MAGKATG2 AT PH 8.5 MAGNAPORTHE ORYZAE (STRAIN 70-15 / ATC4617 / FGSC 8958) OXIDOREDUCTASE COMPOUND I OXOIRON CATALASE-PEROXIDASE
Ref.: EUKARYOTIC CATALASE-PEROXIDASE: THE ROLE OF THE TRP ADDUCT IN PROTEIN STABILITY, SUBSTRATE ACCESSIBILIT CATALYSIS OF HYDROGEN PEROXIDE DISMUTATION. BIOCHEMISTRY V. 54 5425 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5CJH Kd = 14.4 uM 522 C34 H34 Fe N4 O6 Cc1c2n3c(c....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5CJH Kd = 14.4 uM 522 C34 H34 Fe N4 O6 Cc1c2n3c(c....
2 5SXR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5SXQ - NIZ C6 H7 N3 O c1cnccc1C(....
4 5SXT - NIZ C6 H7 N3 O c1cnccc1C(....
5 5SXS - NIZ C6 H7 N3 O c1cnccc1C(....
6 5SYJ - NIZ C6 H7 N3 O c1cnccc1C(....
7 5SYI - NIZ C6 H7 N3 O c1cnccc1C(....
8 3WXO - NIZ C6 H7 N3 O c1cnccc1C(....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5CJH Kd = 14.4 uM 522 C34 H34 Fe N4 O6 Cc1c2n3c(c....
2 5SXR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5SXQ - NIZ C6 H7 N3 O c1cnccc1C(....
4 5SXT - NIZ C6 H7 N3 O c1cnccc1C(....
5 5SXS - NIZ C6 H7 N3 O c1cnccc1C(....
6 5SYJ - NIZ C6 H7 N3 O c1cnccc1C(....
7 5SYI - NIZ C6 H7 N3 O c1cnccc1C(....
8 3WXO - NIZ C6 H7 N3 O c1cnccc1C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 522; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 522 1 1
2 HEA 0.550725 0.901408
3 FDE 0.448819 0.910448
4 7HE 0.425 0.808824
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CJH; Ligand: 522; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 5cjh.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RW3 SHV 0.008753 0.45207 3.97351
2 4RW3 DKA 0.00436 0.40082 3.97351
3 1M2Z BOG 0.007388 0.46213 4.28016
4 1H0A I3P 0.02748 0.41233 6.32911
5 3BY8 MLT 0.0371 0.40032 8.4507
Pocket No.: 2; Query (leader) PDB : 5CJH; Ligand: 522; 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: 5cjh.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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