Receptor
PDB id Resolution Class Description Source Keywords
5K21 1.8 Å EC: 7.-.-.- PYOCYANIN DEMETHYLASE MYCOBACTERIUM FORTUITUM SUBSP. FORTUIT46621 = ATCC 6841 DEMETHYLASE PHENAZINE OXIDOREDUCTASE
Ref.: PYOCYANIN DEGRADATION BY A TAUTOMERIZING DEMETHYLAS INHIBITS PSEUDOMONAS AERUGINOSA BIOFILMS. SCIENCE V. 355 170 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:202;
C:202;
A:202;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
6QF A:201;
B:201;
C:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
196.205 C12 H8 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K21 1.8 Å EC: 7.-.-.- PYOCYANIN DEMETHYLASE MYCOBACTERIUM FORTUITUM SUBSP. FORTUIT46621 = ATCC 6841 DEMETHYLASE PHENAZINE OXIDOREDUCTASE
Ref.: PYOCYANIN DEGRADATION BY A TAUTOMERIZING DEMETHYLAS INHIBITS PSEUDOMONAS AERUGINOSA BIOFILMS. SCIENCE V. 355 170 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6QF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6QF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K21; Ligand: 6QF; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 5k21.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FW4 CAQ 0.001626 0.4593 None
2 3KFF ZBT 0.00198 0.44492 None
3 3KFF XBT 0.00198 0.44492 None
4 1FDQ HXA 0.01881 0.41069 None
5 5J8O 6GZ 0.008905 0.41036 None
6 4GJY OGA 0.01557 0.40123 None
7 4AZP A9M 0.02345 0.40036 None
8 3ZXE PGZ 0.002081 0.40367 1.50376
9 2F67 12B 0.007331 0.41895 2.83688
10 1ERB ETR 0.01805 0.41028 2.83688
11 4D4U FUC GAL 0.01244 0.40767 2.83688
12 4D52 GXL 0.01645 0.40316 2.83688
13 4D52 GIV 0.01777 0.40125 2.83688
14 5FLJ QUE 0.006719 0.42388 3.5461
15 1ZB6 GST 0.01586 0.41573 3.5461
16 4N14 WR7 0.01667 0.40362 3.5461
17 1KGI T4A 0.007591 0.42462 3.93701
18 3LJU IP9 0.003015 0.43942 4.25532
19 1DZK PRZ 0.0005721 0.43503 4.25532
20 2OVW CBI 0.003588 0.43221 4.96454
21 5JSP DQY 0.01106 0.40947 4.96454
22 4OFG PCG 0.004578 0.40923 4.96454
23 5A65 TPP 0.01714 0.40229 4.96454
24 5U98 1KX 0.02417 0.41709 5.05051
25 3PNA CMP 0.001538 0.44457 5.67376
26 5UI2 EQ3 0.01466 0.42224 5.67376
27 5A3T MMK 0.03131 0.40191 5.67376
28 4KU7 PCG 0.004737 0.4085 6.38298
29 1KJ1 MAN 0.01444 0.40136 6.42202
30 5D6T NGA 0.002602 0.41853 7.0922
31 2A4W BLM 0.02052 0.40879 7.24638
32 5NBW 8SK 0.004475 0.41075 8.10811
33 1MEX RAC 0.008759 0.40391 8.37209
34 4H6B 10Y 0.0007063 0.45495 10.6383
35 4H6B 10X 0.0008836 0.43912 10.6383
36 5LXB 7A9 0.008502 0.41487 10.6383
37 5V1B 8UY 0.01111 0.40798 10.6383
38 3AI0 PNW 0.004653 0.40303 10.6383
39 1Y2F WAI 0.001105 0.46332 11.5108
40 1Y0G 8PP 0.02836 0.41522 16.3121
41 1OJJ GLC GAL 0.003436 0.42785 19.1489
42 1OJK GLC BGC 0.003347 0.41824 19.1489
43 3G08 FEE 0.01711 0.43487 20.202
44 3WXL ADP 0.001922 0.43251 30.4965
45 4H69 10Y 0.002126 0.41983 33.3333
46 2DIO EOD 0.002506 0.43433 34.0426
Pocket No.: 2; Query (leader) PDB : 5K21; Ligand: 6QF; 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: 5k21.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5K21; Ligand: 6QF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5k21.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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