-->
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 209 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 175 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 149 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: 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 : 1FLM; Ligand: FMN; Similar sites found with APoc: 64
This union binding pocket(no: 1) in the query (biounit: 1flm.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 3A3B RBF None
3 4G0P U5P None
4 1MFI FHC None
5 3A3B FMN None
6 1M48 FRG None
7 4PYA 2X3 None
8 1LVG ADP 1.63934
9 3W2E NAD 1.63934
10 3W2E FAD 1.63934
11 1KZL CRM 2.45902
12 2AWN ADP 3.27869
13 3ZOD HQE 3.27869
14 3ZOD FMN 3.27869
15 3QX9 ATP 3.27869
16 2JFV FLC 3.27869
17 5U5G 7VD 3.27869
18 3OZV FAD 4.09836
19 1OFZ FUL 4.09836
20 1QHO MAL 4.09836
21 3OZV ECN 4.09836
22 4TQK NAG 4.09836
23 3E3U NVC 4.09836
24 5M90 JIF 4.91803
25 1W1A NDG 4.91803
26 1SM4 FAD 4.91803
27 1EWY FAD 5.10204
28 2BO4 FLC 5.7377
29 1VMK GUN 5.7377
30 4OKE AMP 5.7377
31 4M0R 644 5.7377
32 3MHP FAD 6.55738
33 1YKI NFZ 6.55738
34 2B9W FAD 6.55738
35 4IHQ ADP 6.55738
36 5HCF BGC 6.55738
37 1XPJ TLA 7.37705
38 1GAW FAD 7.37705
39 2CXG GLC GLC 7.37705
40 3VO1 FAD 7.37705
41 5GXU FAD 7.37705
42 3HRD NIO 9.01639
43 5J6Y BGC 9.01639
44 5J6Y GLC 9.01639
45 4D52 GXL 9.01639
46 2WQ4 SFU 9.01639
47 3JQQ FAD 9.01639
48 2OG2 MLI 9.83607
49 3B9Q MLI 9.83607
50 5LUB 3Y7 9.83607
51 3R6K FUC GAL GLA 10.6557
52 2ED4 FAD 10.6557
53 5IM3 DTP 11.4754
54 4G86 BNT 13.1148
55 4G6I RS3 14.7541
56 4DQL FAD 16.3934
57 4YRY NAD 16.3934
58 4YRY FAD 16.3934
59 4PPF FLC 18.0328
60 4F07 FAD 18.8525
61 3LLZ GAL NGA 22.9508
62 5NM7 GLY 27.8689
63 5YRJ BGC GLC 30.3279
64 5YRG BGC GLC 30.3279
Pocket No.: 2; Query (leader) PDB : 1FLM; Ligand: FMN; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 1flm.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3GUZ PAF None
2 1MAI I3P 3.27869
3 1MJT ITU 4.09836
4 2UYQ SAM 4.91803
5 3BD9 A3P 6.55738
6 2O66 FLC 7.37705
7 4D4U FUC GAL 9.01639
8 4RDN 6MD 14.7541
9 3PPQ CHT 18.0328
APoc FAQ
Feedback