Receptor
PDB id Resolution Class Description Source Keywords
2WC1 2.17 Å NON-ENZYME: OTHER THREE-DIMENSIONAL STRUCTURE OF THE NITROGEN FIXATION FLAVODOXIN (NIFF) FROM RHODOBACTER CAPSULATUS AT 2.2 A RHODOBACTER CAPSULATUS ELECTRON TRANSPORT FLAVOPROTEIN
Ref.: STRUCTURAL AND PHYLOGENETIC ANALYSIS OF RHODOBACTER CAPSULATUS NIFF: UNCOVERING GENERAL FEATURES OF NIT FIXATION (NIF)-FLAVODOXINS. INT.J.MOL.SCI. V. 14 1152 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:183;
 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
2WC1 2.17 Å NON-ENZYME: OTHER THREE-DIMENSIONAL STRUCTURE OF THE NITROGEN FIXATION FLAVODOXIN (NIFF) FROM RHODOBACTER CAPSULATUS AT 2.2 A RHODOBACTER CAPSULATUS ELECTRON TRANSPORT FLAVOPROTEIN
Ref.: STRUCTURAL AND PHYLOGENETIC ANALYSIS OF RHODOBACTER CAPSULATUS NIFF: UNCOVERING GENERAL FEATURES OF NIT FIXATION (NIF)-FLAVODOXINS. INT.J.MOL.SCI. V. 14 1152 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6OHL Kd = 34 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6OHK Kd = 9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1D04 Ka = 38000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZL Ka = 1400000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZH Ka = 3500000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1CZO Ka = 35000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
28 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 1AG9 Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WC1; Ligand: FMN; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 2wc1.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5GXU FMN 7.14286
2 4N82 FMN 11.7978
3 4N82 FMN 11.7978
4 1TLL FMN 19.7802
5 1TLL FMN 19.7802
6 6LI0 FMN 24.7253
7 4H2D FMN 25.4545
8 6T1T FMN 26.3736
9 6T1T FAD 26.3736
10 6T1T NDP 26.3736
11 6T1T NDP 26.3736
12 6T1T FMN 26.3736
13 6T1T FAD 26.3736
14 3FJO FMN 27.4725
15 1BVY FMN 29.1209
16 5FA6 FAD 29.6703
17 5FA6 NAP 29.6703
18 5FA6 FMN 29.6703
19 5FA6 FMN 29.6703
20 5FA6 FAD 29.6703
21 5FA6 NAP 29.6703
22 1B1C FMN 30.9392
23 1AKV FMN 36.7347
24 6EFV FMN 39.5604
25 4HEQ FMN 44.5205
26 4HEQ FMN 44.5205
APoc FAQ
Feedback