Receptor
PDB id Resolution Class Description Source Keywords
1B1C 1.93 Å EC: 1.6.2.4 CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93A RESOLUTION HOMO SAPIENS FLAVOPROTEIN CYTOCHROME P450 REDUCTASE P450 REDUCTASE FMN-BINDING DOMAIN FMN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93 A RESOLUTION. PROTEIN SCI. V. 8 298 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FMN A:190;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B1C 1.93 Å EC: 1.6.2.4 CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93A RESOLUTION HOMO SAPIENS FLAVOPROTEIN CYTOCHROME P450 REDUCTASE P450 REDUCTASE FMN-BINDING DOMAIN FMN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93 A RESOLUTION. PROTEIN SCI. V. 8 298 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1B1C - 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 3 families.
1 1B1C - 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 2 families.
1 1B1C - 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 : 1B1C; Ligand: FMN; Similar sites found: 72
This union binding pocket(no: 1) in the query (biounit: 1b1c.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CEO 50D 0.003756 0.40797 1.10497
2 2B3D FAD 0.00381 0.42041 1.65746
3 2YG3 FAD 0.01014 0.41943 2.20994
4 3WXB NDP 0.01631 0.4003 2.20994
5 5EOO CIT 0.009205 0.42631 2.76243
6 4R5M NAP 0.00653 0.41582 2.76243
7 4R5M 4NO 0.007448 0.41582 2.76243
8 1I36 NAP 0.006526 0.40848 2.76243
9 4N65 FMN 0.001634 0.44292 2.83019
10 4N65 AQN 0.01118 0.40116 2.83019
11 4LTN NAI 0.0008051 0.44659 3.31492
12 4LTN FMN 0.001423 0.43195 3.31492
13 1LJ8 NAD 0.00455 0.4137 3.31492
14 1RHC F42 ACN 0.009963 0.40882 3.31492
15 1XVV CCQ 0.01775 0.40703 3.31492
16 4R81 FMN 0.006146 0.40447 3.31492
17 4C0X AQN 0.0006909 0.4627 3.8674
18 4C0X FMN 0.0005927 0.45954 3.8674
19 2OYS FMN 0.003035 0.4196 3.8674
20 3IOI 1GW 0.0136 0.40508 3.8674
21 2YIP YIO 0.02794 0.40361 4.34783
22 1E5D FMN 0.000454 0.45938 4.41989
23 2BSA NAP 0.03498 0.40188 4.97238
24 3N39 FMN 0.000009241 0.53366 5.22876
25 1FEC FAD 0.02337 0.40738 5.52486
26 4IP7 FBP 0.003147 0.40612 5.52486
27 1GOJ ADP 0.01856 0.41303 6.07735
28 2VHW NAI 0.01036 0.41496 6.62983
29 4BLW AMP 0.009943 0.41362 6.62983
30 4BLW SAH 0.007749 0.40971 6.62983
31 1T5B FMN 0.001604 0.42766 7.18232
32 4KCT FDP 0.001555 0.40518 7.18232
33 1RLJ FMN 0.0000001368 0.59443 7.19424
34 4B2D FBP 0.002141 0.41342 7.73481
35 3FPF MTA 0.01932 0.40531 7.73481
36 3FPF TNA 0.01932 0.40531 7.73481
37 1PR9 NAP 0.01537 0.40379 7.73481
38 2Z9C FMN 0.0005268 0.45059 8.28729
39 4ZRN UPG 0.03075 0.40316 8.28729
40 4ZRN NAD 0.01677 0.40314 8.28729
41 3HQP FDP 0.001507 0.40071 8.28729
42 5G3U FDA 0.009573 0.41863 9.39227
43 5G3U ITW 0.01307 0.41782 9.39227
44 3NYQ MCA 0.04411 0.40608 9.39227
45 3NYQ AMP 0.04627 0.40608 9.39227
46 2Q9U FMN 0.0001493 0.47193 9.94475
47 3GFS FMN 0.0003175 0.43495 10.3448
48 2OHH FMN 0.0002244 0.47083 10.4972
49 1KOJ PAN 0.002033 0.42525 10.4972
50 2ZAT NAP 0.006478 0.41729 11.0497
51 4PTZ FMN 0.00299 0.41243 11.6022
52 1T0I FMN 0.002061 0.42299 12.1547
53 2CXS F6P 0.001931 0.42814 12.7072
54 4N82 FMN 0.0000002963 0.5804 17.9775
55 2O2C G6Q 0.001219 0.42408 23.7569
56 1AG9 FMN 0.0000000003179 0.71533 25.1429
57 2FCR FMN 0.000000002032 0.65804 26.0116
58 5K9B FMN 0.00000000005954 0.74655 27.2222
59 4BMO FMN 0.0000006302 0.58976 30.2521
60 5NUL FMN 0.0002318 0.45833 30.4348
61 2WC1 FMN 0.00000000006159 0.74592 30.9392
62 1OBV FMN 0.0000000002 0.72785 35.503
63 1CZR FMN 0.0000000000843 0.74007 37.8698
64 3KAP FMN 0.000001091 0.56925 40.1361
65 3F6R FMN 0.000002411 0.54282 40.5405
66 2XOD FMN 0.0000001048 0.61043 44.5378
67 4HEQ FMN 0.000000006137 0.66016 45.2055
68 4OXX FMN 0.0000000000008678 0.82535 45.679
69 5LJI FMN 0.0000002669 0.57054 45.9459
70 1AKV FMN 0.00000003606 0.63945 46.9388
71 1BVY FMN 0.0000000000154 0.77993 46.9613
72 1TLL FMN 0.0000000000004767 0.85371 48.0663
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