Receptor
PDB id Resolution Class Description Source Keywords
2FCR 1.8 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 ANGSTROMS RESOLUTION: D ESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE CHONDRUS CRISPUS ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 A RESOLUTION. DESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE J.MOL.BIOL. V. 225 775 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:174;
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
2FCR 1.8 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 ANGSTROMS RESOLUTION: D ESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE CHONDRUS CRISPUS ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF OXIDIZED FLAVODOXIN FROM A RED ALGA CHONDRUS CRISPUS REFINED AT 1.8 A RESOLUTION. DESCRIPTION OF THE FLAVIN MONONUCLEOTIDE BINDING SITE J.MOL.BIOL. V. 225 775 1992
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2FCR - 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 166 families.
1 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 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 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
26 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 1AG9 Ki = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FCR; Ligand: FMN; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 2fcr.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OWK NGA 0.00658 0.43128 None
2 3L6C MLI 0.02095 0.40267 1.15607
3 3LN9 FLC 0.0001932 0.52037 2.15827
4 1SC3 MLI 0.01928 0.40188 2.27273
5 4KCT FDP 0.0009944 0.45048 2.31214
6 3EF0 ALF 0.01137 0.41596 2.31214
7 4R2I ANP 0.01609 0.40655 2.31214
8 4LTN FMN 0.002371 0.4056 2.31214
9 4R81 FMN 0.01043 0.40124 2.31214
10 2XOD FMN 0.0000000002192 0.67716 2.52101
11 1T0I FMN 0.0003293 0.44558 2.89017
12 2Z9C FMN 0.0005117 0.43319 3.46821
13 3L6R MLI 0.009934 0.41562 3.46821
14 4BWL MN9 0.01981 0.40269 3.46821
15 1BG2 ADP 0.0237 0.40129 3.46821
16 1TLL FMN 0.0000000008071 0.61563 3.48837
17 4RDN 6MD 0.01891 0.4057 3.59281
18 4N82 FMN 0.00000000002721 0.7532 4.04624
19 2Q9U FMN 0.00004648 0.47917 4.04624
20 3KDM TES 0.01313 0.41375 4.04624
21 3ESS 18N 0.01416 0.41077 4.04624
22 1X9I G6Q 0.004086 0.42195 4.62428
23 1IXE CIT 0.008764 0.42193 4.62428
24 3N29 GOL 0.02077 0.40361 4.62428
25 4G9N NGA 0.01382 0.41118 4.8951
26 2OG7 AHB 0.009537 0.42067 5.78035
27 2OHH FMN 0.00003342 0.45809 6.35838
28 3AFN NAP 0.0222 0.40251 6.93642
29 1E5D FMN 0.0000707 0.43927 7.51445
30 2HIM ASN 0.008359 0.41402 7.51445
31 4BMO FMN 0.000000001243 0.58207 8.09249
32 3GFS FMN 0.0001495 0.48868 8.67052
33 4ZOM 4Q3 0.02038 0.40846 8.67052
34 1KOJ PAN 0.00389 0.40065 8.67052
35 4CP8 MLI 0.004302 0.43864 9.24856
36 2J0W ASP 0.01671 0.40686 9.24856
37 4IP7 FBP 0.0006294 0.44959 10.4046
38 4UP4 NDG 0.003273 0.43061 10.9827
39 3HQP FDP 0.006056 0.41835 10.9827
40 1BVY FMN 0.000000003277 0.6178 12.1387
41 4PPF FLC 0.003162 0.45844 12.1387
42 1T5B FMN 0.00037 0.44396 13.4328
43 2O2C G6Q 0.003227 0.41814 13.8728
44 2IMG MLT 0.01772 0.40814 13.9073
45 4PTZ FMN 0.003175 0.41253 14.4509
46 4LO2 GAL BGC 0.01423 0.41495 14.966
47 5IXJ THR 0.006394 0.4247 15.0289
48 1MI3 NAD 0.01663 0.40741 15.6069
49 1RLJ FMN 0.0000000004569 0.70086 15.8273
50 3N39 FMN 0.000000005965 0.58749 16.763
51 4B2D FBP 0.0008811 0.44312 20.2312
52 3FJO FMN 0.0000000003373 0.66999 26.0116
53 1B1C FMN 0.000000002032 0.65804 26.0116
54 5FA6 NAP 0.0000001969 0.69123 27.1676
55 5FA6 FAD 0.0000001887 0.69123 27.1676
56 5FA6 FMN 0.0000001887 0.69123 27.1676
57 4H2D FMN 0.000000003252 0.64996 29.697
58 5GXU FMN 0.0000000008888 0.71659 32.3699
59 4OXX FMN 0.000000001461 0.66286 33.3333
60 5LJI FMN 0.000000004195 0.67877 35.8108
61 3F6R FMN 0.000000007282 0.67199 36.4865
62 3KAP FMN 0.00000008607 0.57196 39.4558
63 4HEQ FMN 0.0000000001241 0.75494 41.0959
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