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Receptor
PDB id Resolution Class Description Source Keywords
3HZL 1.55 Å NON-ENZYME: OTHER TYR258PHE MUTANT OF NIKD, AN UNUSUAL AMINO ACID OXIDASE ESSENTIAL FOR NIKKOMYCIN BIOSYNTHESIS: OPEN FORM AT 1.55A R ESOLUTION STREPTOMYCES TENDAE FLAVOPROTEIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: FACTORS THAT AFFECT OXYGEN ACTIVATION AND COUPLING OF THE TWO REDOX CYCLES IN THE AROMATIZATION REACTION CATALYZED BY NIKD, AN UNUSUAL AMINO ACID OXIDASE. BIOCHEMISTRY V. 48 9542 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6PC A:399;
Valid;
none;
Kd = 3000 uM
123.109 C6 H5 N O2 c1ccn...
FAD A:398;
Part of Protein;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MPD A:400;
A:401;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HZL 1.55 Å NON-ENZYME: OTHER TYR258PHE MUTANT OF NIKD, AN UNUSUAL AMINO ACID OXIDASE ESSENTIAL FOR NIKKOMYCIN BIOSYNTHESIS: OPEN FORM AT 1.55A R ESOLUTION STREPTOMYCES TENDAE FLAVOPROTEIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: FACTORS THAT AFFECT OXYGEN ACTIVATION AND COUPLING OF THE TWO REDOX CYCLES IN THE AROMATIZATION REACTION CATALYZED BY NIKD, AN UNUSUAL AMINO ACID OXIDASE. BIOCHEMISTRY V. 48 9542 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2Q6U - BEZ C7 H6 O2 c1ccc(cc1)....
2 2OLN - 6PC C6 H5 N O2 c1ccnc(c1)....
3 2OLO - 6PC C6 H5 N O2 c1ccnc(c1)....
4 3HZL Kd = 3000 uM 6PC C6 H5 N O2 c1ccnc(c1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2Q6U - BEZ C7 H6 O2 c1ccc(cc1)....
2 2OLN - 6PC C6 H5 N O2 c1ccnc(c1)....
3 2OLO - 6PC C6 H5 N O2 c1ccnc(c1)....
4 3HZL Kd = 3000 uM 6PC C6 H5 N O2 c1ccnc(c1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2Q6U - BEZ C7 H6 O2 c1ccc(cc1)....
2 2OLN - 6PC C6 H5 N O2 c1ccnc(c1)....
3 2OLO - 6PC C6 H5 N O2 c1ccnc(c1)....
4 3HZL Kd = 3000 uM 6PC C6 H5 N O2 c1ccnc(c1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6PC 1 1
2 PDC 0.4375 0.809524
3 VGL 0.411765 0.809524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HZL; Ligand: 6PC; Similar sites found with APoc: 17
This union binding pocket(no: 1) in the query (biounit: 3hzl.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4L9Z COA 1.47493
2 4O9S 2RY 2.32558
3 1OT6 HC4 2.4
4 2ZE7 AMP 2.7668
5 1ERB ETR 2.77078
6 1U8V FAD 3.27456
7 1QV1 CZH 3.58974
8 2IRY DGT 4.9505
9 2ZSC BTN 4.96454
10 2IGA XX3 5.47945
11 2IGA XX2 5.47945
12 3FAL LO2 5.6391
13 5GSN NAP 6.40177
14 4GGZ BTN 10.4348
15 4B1M FRU FRU 14.0541
16 3NYC IAR 20.403
17 3NYC FAD 20.403
Pocket No.: 2; Query (leader) PDB : 3HZL; Ligand: 6PC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3hzl.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HZL; Ligand: 6PC; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3hzl.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4PIO AVI 3.40557
2 4PIO SAH 3.40557
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