-->
Receptor
PDB id Resolution Class Description Source Keywords
1W1S 2 Å EC: 1.5.99.12 PLANT CYTOKININ DEHYDROGENASE IN COMPLEX WITH BENZYLAMINOPURINE ZEA MAYS OXIDOREDUCTASE FLAVOPROTEIN FAD SIGNAL GLYCOPROTEIN
Ref.: STRUCTURES OF MICHAELIS AND PRODUCT COMPLEXES OF PLANT CYTOKININ DEHYDROGENASE: IMPLICATIONS FOR FLAVOENZYME CATALYSIS J.MOL.BIOL. V. 341 1237 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EMU A:1536;
Valid;
none;
submit data
225.249 C12 H11 N5 c1ccc...
FAD A:1535;
Part of Protein;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NAG A:1537;
A:1538;
A:1541;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:1539;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KJM 1.9 Å EC: 1.5.99.12 LEU492ALA MUTANT OF MAIZE CYTOKININ OXIDASE/DEHYDROGENASE CO WITH PHENYLUREA INHIBITOR CPPU ZEA MAYS CYTOKININ OXIDASE/DEHYDROGENASE FLAVOPROTEIN FAD INHIBITOGLYCOPROTEIN SECRETED OXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: PHENYL- AND BENZYLUREA CYTOKININS AS COMPETITIVE IN OF CYTOKININ OXIDASE/DEHYDROGENASE: A STRUCTURAL ST BIOCHIMIE V. 92 1052 2010
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
2 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
3 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
4 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
5 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
6 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
2 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
3 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
4 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
5 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
6 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OAL - 245 C12 H10 Cl N3 O c1ccc(cc1)....
2 5HMR ic50 = 35 uM FDZ C10 H7 F3 N4 O2 S c1cc(cc(c1....
3 5HHZ - ZME C10 H9 N5 Cc1ccn(c1)....
4 5HQX ic50 = 120 uM EDZ C11 H12 N4 O2 S c1ccc(c(c1....
5 4O95 - 245 C12 H10 Cl N3 O c1ccc(cc1)....
6 2Q4W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
8 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
9 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
10 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
11 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
12 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EMU; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 EMU 1 1
2 2KU 0.540984 0.647059
3 ZIP 0.492063 0.804878
4 ZEZ 0.462687 0.717391
5 ZEA 0.462687 0.717391
6 36O 0.409091 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KJM; Ligand: 245; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 3kjm.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5YBN AKG 1.91083
2 2Z81 PCJ 1.93798
3 5UR6 8KM 2.20994
4 4Y30 49L 2.2792
5 2OBD 2OB 2.31092
6 5AM1 I5T 2.32558
7 1ODM ASV 2.41692
8 4ZLU ADP 3.80313
9 4ZLU 4PW 3.80313
10 3SCM LGN 4.0404
11 3DZ6 PUT 4.11985
12 1I7M PUT 4.11985
13 5DRB 5FJ 4.46735
14 1LSH PLD 4.70219
15 4D52 GXL 4.7619
16 4D52 GIV 4.7619
17 5FXD H7Y 5.23256
18 5MW4 5JU 5.68862
19 3L9R L9R 6.12245
20 3AGC RCC 7.24638
21 5JWP AKG 7.38636
22 3P3N AKG 7.44986
23 1H2K OGA 7.44986
24 2XUM OGA 7.44986
25 5LWY OLB 10.2804
26 1H2M OGA 11.5385
27 1E8G FCR 12.4031
28 4P8K FAD 14.375
29 4P8K 38C 14.375
APoc FAQ
Feedback