-->
Receptor
PDB id Resolution Class Description Source Keywords
3R5Z 1.5 Å NON-ENZYME: OTHER STRUCTURE OF A DEAZAFLAVIN-DEPENDENT REDUCTASE FROM NOCARDIA FARCINICA, WITH CO-FACTOR F420 NOCARDIA FARCINICA SPLIT BARREL-LIKE FOLD DUF385 DEAZAFLAVIN-DEPENDENT REDUCTF420-DEPENDENT REDUCTASE FDR F420 UNKNOWN FUNCTION
Ref.: STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITRORE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDU ACTIVATION OF PA-824. STRUCTURE V. 20 101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F42 A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
773.593 C29 H36 N5 O18 P C[C@@...
SO4 B:202;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R5Z 1.5 Å NON-ENZYME: OTHER STRUCTURE OF A DEAZAFLAVIN-DEPENDENT REDUCTASE FROM NOCARDIA FARCINICA, WITH CO-FACTOR F420 NOCARDIA FARCINICA SPLIT BARREL-LIKE FOLD DUF385 DEAZAFLAVIN-DEPENDENT REDUCTF420-DEPENDENT REDUCTASE FDR F420 UNKNOWN FUNCTION
Ref.: STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITRORE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDU ACTIVATION OF PA-824. STRUCTURE V. 20 101 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3R5Z - F42 C29 H36 N5 O18 P C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3R5Z - F42 C29 H36 N5 O18 P C[C@@H](C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3R5Z - F42 C29 H36 N5 O18 P C[C@@H](C(....
2 3R5Y - F42 C29 H36 N5 O18 P C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F42; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 6J4 1 1
2 F42 1 1
3 FO1 0.508333 0.833333
4 HDF 0.508333 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R5Z; Ligand: F42; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 3r5z.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 3UEC ALA ARG TPO LYS 1.37931
3 4G6I RS3 2.75862
4 1T9M FMN 3.44828
5 6ACS CIT 3.44828
6 3ODU ITD 4.13793
7 1P9B HDA 4.13793
8 1USF FMN 4.13793
9 1USF NAP 4.13793
10 3HQ9 OXL 4.13793
11 1G79 FMN 4.13793
12 1G79 PLP 4.13793
13 1MFI FHC 4.38596
14 1AV5 AP2 4.7619
15 2Y7P SAL 4.82759
16 1HSR BHO 4.82759
17 4QVB F42 4.82759
18 2XOC ADP 5.51724
19 2OG2 MLI 5.51724
20 3B9Q MLI 5.51724
21 1RDL MMA 6.19469
22 6F5W KG1 6.2069
23 4N14 WR7 6.2069
24 1KZL CRM 6.89655
25 5M90 JIF 8.27586
26 1NE7 16G 8.27586
27 4F07 FAD 8.27586
28 1I0S FMN 8.27586
29 1PVC ILE SER GLU VAL 9.65517
30 4RW3 SHV 9.65517
31 4YBN FAD 10.3448
32 4YRY FAD 10.3448
33 4YRY NAD 10.3448
34 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 11.0345
35 5C9P FUC 13.1034
36 5XQL C2E 13.7931
37 1RJW ETF 15.1724
38 5O0X FAD 15.1724
39 1Z0N BCD 15.625
40 4HMX FMN 16.5517
41 4HMX WUB 16.5517
42 3HRD NIO 17.2414
43 5JCA FAD 26.2069
Pocket No.: 2; Query (leader) PDB : 3R5Z; Ligand: F42; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 3r5z.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3GON PMV 2.75862
2 2QTZ FAD 2.75862
3 3BNK FMN 3.44828
4 2BHW XAT 4.82759
5 5UAO FAD 5.51724
6 1EWY FAD 5.51724
7 3P7G MAN 6.2069
8 4WGF HX2 7.58621
9 1EP2 FAD 7.58621
10 3HY8 PLP 8.96552
11 3HY8 FMN 8.96552
12 4BKS X6C 20.6897
13 4W9F 3JU 20.6897
APoc FAQ
Feedback