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Receptor
PDB id Resolution Class Description Source Keywords
1ZCH 1.85 Å EC: 1.-.-.- STRUCTURE OF THE HYPOTHETICAL OXIDOREDUCTASE YCND FROM BACIL SUBTILIS BACILLUS SUBTILIS NITROREDUCTASE NADH-OXIDASE OXIDOREDUCTASE
Ref.: STRUCTURE AND FUNCTION OF YCND FROM BACILLUS SUBTIL FLAVIN-CONTAINING OXIDOREDUCTASE(,). BIOCHEMISTRY V. 44 13724 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:303;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:302;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FMN A:301;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZCH 1.85 Å EC: 1.-.-.- STRUCTURE OF THE HYPOTHETICAL OXIDOREDUCTASE YCND FROM BACIL SUBTILIS BACILLUS SUBTILIS NITROREDUCTASE NADH-OXIDASE OXIDOREDUCTASE
Ref.: STRUCTURE AND FUNCTION OF YCND FROM BACILLUS SUBTIL FLAVIN-CONTAINING OXIDOREDUCTASE(,). BIOCHEMISTRY V. 44 13724 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1ZCH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1ZCH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5HDJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1F5V - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1BKJ Kd = 0.17 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2BKJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1ZCH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZCH; Ligand: FMN; Similar sites found with APoc: 22
This union binding pocket(no: 1) in the query (biounit: 1zch.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1TZD ADP 2.35294
2 4KZV TRE 2.98507
3 3UEC ALA ARG TPO LYS 3.42466
4 3QDY CBS 4.1958
5 3QDV NDG 4.1958
6 4Z7X 3CX 5.46218
7 1PVC ILE SER GLU VAL 7.45098
8 3GD8 GOL 9.86547
9 2WZV FMN 13.1915
10 3BM1 FMN 14.2077
11 1ICV FMN 14.2857
12 1V5Y 4HC 17.9724
13 1V5Y FMN 17.9724
14 1YKI NFZ 21.1982
15 1YKI FMN 21.1982
16 1KQB FMN 21.659
17 1KQB BEZ 21.659
18 4EO3 FMN 31.7647
19 5YAK FMN 33.3333
20 5YAK YOF 33.3333
21 3GB5 FMN 34.5098
22 1NOX FMN 42.439
Pocket No.: 2; Query (leader) PDB : 1ZCH; Ligand: FMN; 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: 1zch.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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