Receptor
PDB id Resolution Class Description Source Keywords
3a6r 1.2 Å NON-ENZYME: TRANSPORT E13Q MUTANT OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGAR (MIYAZAKI F) DESULFOVIBRIO VULGARIS ELECTRON TRANSPORT FLAVOPROTEIN FMN
Ref.: EFFECTS OF THE DISAPPEARANCE OF ONE CHARGE ON ULTRA FLUORESCENCE DYNAMICS OF THE FMN BINDING PROTEIN. J.PHYS.CHEM.B V. 114 6175 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:2002;
C:2001;
D:2003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FMN A:123;
B:123;
C:123;
D:123;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 1.39 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FLM 1.3 Å NON-ENZYME: TRANSPORT DIMER OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MI DESULFOVIBRIO VULGARIS STR. -prime MIYAZAKI ORGANISM_TAXID: 883 FMN BINDING ELECTRON TRANSPORT
Ref.: HOW DO THE X-RAY STRUCTURE AND THE NMR STRUCTURE OF FMN-BINDING PROTEIN DIFFER? ACTA CRYSTALLOGR.,SECT.D V. 56 368 2000
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 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 : 1FLM; Ligand: FMN; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1flm.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.01615 0.42461 None
2 3A3B RBF 0.009066 0.41835 None
3 4G0P U5P 0.01653 0.41163 None
4 3A3B FMN 0.01382 0.40926 None
5 3W2E FAD 0.01667 0.40925 1.63934
6 3W2E NAD 0.01667 0.40925 1.63934
7 3ZOD HQE 0.007563 0.41018 3.27869
8 2JFV FLC 0.02168 0.40261 3.27869
9 3OZV FAD 0.01078 0.42092 4.09836
10 3OZV ECN 0.01937 0.4121 4.09836
11 1EWY FAD 0.00952 0.40489 5.10204
12 4M0R 644 0.01895 0.40842 5.7377
13 1YKI NFZ 0.0134 0.40763 6.55738
14 2B9W FAD 0.03282 0.40596 6.55738
15 5HCF BGC 0.01875 0.4012 6.55738
16 3VO1 FAD 0.007785 0.40514 7.37705
17 5GXU FAD 0.01203 0.40251 7.37705
18 5J6Y BGC 0.007341 0.43693 9.01639
19 5J6Y GLC 0.007341 0.43693 9.01639
20 4D52 GXL 0.01169 0.42655 9.01639
21 3JQQ FAD 0.02023 0.40436 9.01639
22 2OG2 MLI 0.002176 0.47641 9.83607
23 3B9Q MLI 0.003422 0.45575 9.83607
24 5LUB 3Y7 0.02483 0.40538 9.83607
25 2ED4 FAD 0.0126 0.40161 10.6557
26 4G86 BNT 0.03513 0.40087 13.1148
27 4PPF FLC 0.03864 0.40093 18.0328
28 4F07 FAD 0.002419 0.42199 18.8525
29 3LLZ GAL NGA 0.03034 0.41024 22.9508
Pocket No.: 2; Query (leader) PDB : 1FLM; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1flm.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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