-->
Receptor
PDB id Resolution Class Description Source Keywords
1T0I 2 Å EC: 1.-.-.- YLR011WP, A SACCHAROMYCES CEREVISIAE NA(D)PH-DEPENDENT FMN REDUCTASE SACCHAROMYCES CEREVISIAE SACCHAROMYCES CEREVISIAE FMN BINDING PROTEIN FLAVODOXIN AZOREDUCTASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL CHARACTERIZATION OF YEAST YLR011WP, AN ENZYME WITH NAD(P)H-FMN AND FERRIC IRON REDUCTASE ACTIVITIES J.BIOL.CHEM. V. 279 34890 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
A:202;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
FMN A:200;
B:200;
Valid;
Valid;
none;
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
1T0I 2 Å EC: 1.-.-.- YLR011WP, A SACCHAROMYCES CEREVISIAE NA(D)PH-DEPENDENT FMN REDUCTASE SACCHAROMYCES CEREVISIAE SACCHAROMYCES CEREVISIAE FMN BINDING PROTEIN FLAVODOXIN AZOREDUCTASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL CHARACTERIZATION OF YEAST YLR011WP, AN ENZYME WITH NAD(P)H-FMN AND FERRIC IRON REDUCTASE ACTIVITIES J.BIOL.CHEM. V. 279 34890 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1T0I - 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 280 families.
1 1T0I - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1T0I - 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 : 1T0I; Ligand: FMN; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 1t0i.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5IDB BMA None
2 5IDB MAN None
3 3QDV A2G None
4 2OFD NGA None
5 3QDT A2G GAL None
6 3QDW A2G None
7 3QDX A2G GAL None
8 3QDY A2G GAL None
9 3GXW SIN None
10 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN None
11 1WD4 AHR 2.09424
12 1TZD ADP 2.09424
13 4JD0 1KH 2.09424
14 4OHU 2TK 2.09424
15 4OHU NAD 2.09424
16 4YG6 GAL NAG 2.45399
17 4WGF HX2 2.6178
18 1W2D ADP 2.6178
19 5VEG FMN 2.80899
20 2FCR FMN 2.89017
21 1JPA ANP 3.14136
22 5T96 79J 3.14136
23 2CBO TH2 3.47826
24 2Q9U FMN 3.66492
25 2GMH FAD 3.66492
26 1QG6 NAD 4.18848
27 1QG6 TCL 4.18848
28 3FJO FMN 4.18848
29 3FXU TSU 4.71204
30 4D42 W0I 4.71204
31 4D42 NAP 4.71204
32 1UY4 XYP XYP XYP XYP 4.82759
33 4OXX FMN 4.93827
34 4LTN FMN 5.2356
35 3AKI AH8 5.2356
36 5MJI 7O6 5.2356
37 4LTN NAI 5.2356
38 1VDN ACE ALA ALA PRO ALA MCM 5.55556
39 5CG1 NAD BBN 5.75916
40 5KOD IAC 5.75916
41 4TMC FMN 5.75916
42 5GXU FMN 6.28272
43 5WS9 AMP 6.28272
44 5A3Y VAL LYS 6.28272
45 5G6U YJM 6.28272
46 5XK9 DMA 6.28272
47 6G47 SIA SIA 6.28272
48 1L5Y BEF 6.45161
49 2OYS FMN 6.80628
50 1J71 THR ILE THR SER 6.80628
51 5CAD PCA 6.88775
52 2Z9C FMN 7.32984
53 2Z9C DTC 7.32984
54 5G48 1FL 7.32984
55 4L9Z OXL 7.32984
56 5N53 8NB 7.32984
57 1AG9 FMN 7.42857
58 4C0X AQN 7.8534
59 4C0X FMN 7.8534
60 1T5B FMN 7.8534
61 4J56 FAD 7.8534
62 4OUE IPT 7.8534
63 3W6X HZP 7.8534
64 5LJI FMN 8.10811
65 6EBQ FMN 8.125
66 3P7G MAN 8.21918
67 1NU4 MLA 8.24742
68 1OBV FMN 8.28402
69 2IF8 ADP 8.37696
70 2WC1 FMN 8.79121
71 1CZR FMN 8.87574
72 3UXH UXH 8.90052
73 3UXH FAD 8.90052
74 4H2D FMN 9.09091
75 3JSX CC2 9.42408
76 3JSX FAD 9.42408
77 1YNS HPO 9.42408
78 1QRD FAD 9.42408
79 1RDL MMA 11.5044
80 4YQE FMN 11.5183
81 4YQE PLQ 11.5183
82 5FA6 FMN 11.5183
83 5FA6 FAD 11.5183
84 5FA6 NAP 11.5183
85 6DAW ARG 11.5183
86 6GAQ FMN 11.6883
87 1TLL FMN 12.0419
88 1B1C FMN 12.1547
89 3N39 FMN 12.4183
90 4K10 NI9 12.5654
91 3HP8 SUC 12.7273
92 4PTZ FMN 13.089
93 2B3D FAD 13.089
94 4N65 FMN 13.2075
95 4N65 AQN 13.2075
96 5IH9 6BF 13.6126
97 1BVY FMN 14.1361
98 4BMO FMN 14.2857
99 1AKV FMN 14.2857
100 3L9W FMN 17.2775
101 3OJF NDP 18.3246
102 3OJF IMJ 18.3246
103 2NZ2 ASP 20.4188
104 3SVL FMN 26.7016
105 1RLJ FMN 27.3381
106 3GFS FMN 33.3333
Pocket No.: 2; Query (leader) PDB : 1T0I; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1t0i.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1T0I; Ligand: FMN; Similar sites found with APoc: 14
This union binding pocket(no: 3) in the query (biounit: 1t0i.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5WHU SIA GAL GLC 1.34228
2 3A23 GAL 2.09424
3 4KZV TRE 2.98507
4 3VYK MMA MAN NAG MAN NAG NAG 3.10078
5 1QH9 LAC 3.66492
6 4IF4 BEF 4.18848
7 3R4S SLB 4.71204
8 5WBF LAC 5.2356
9 2VDF OCT 5.2356
10 2OX9 GAL NAG FUC 5.71429
11 3TW1 AHN 6.80628
12 2AK3 AMP 6.80628
13 2JHP GUN 6.80628
14 6FSG FMN 8.84354
Pocket No.: 4; Query (leader) PDB : 1T0I; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1t0i.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1T0I; Ligand: FMN; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 1t0i.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4XFR CIT 11.5183
Pocket No.: 6; Query (leader) PDB : 1T0I; Ligand: FMN; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 1t0i.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3WH2 FLC 1.36054
APoc FAQ
Feedback