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Receptor
PDB id Resolution Class Description Source Keywords
4R81 1.5 Å EC: 1.-.-.- NAD(P)H:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARB METHANOTHERMOBACTER MARBURGENSIS FLAVODOXIN-LIKE/FOLD OXIDOREDUCTASE FMN NAD
Ref.: A NOVEL CYTOSOLIC NADH:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS. BIOSCI.REP. V. 34 00167 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN C:300;
A:300;
B:300;
D:300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
4R81 1.5 Å EC: 1.-.-.- NAD(P)H:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARB METHANOTHERMOBACTER MARBURGENSIS FLAVODOXIN-LIKE/FOLD OXIDOREDUCTASE FMN NAD
Ref.: A NOVEL CYTOSOLIC NADH:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS. BIOSCI.REP. V. 34 00167 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4R81 - 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 4R81 - 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 4R81 - 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 : 4R81; Ligand: FMN; Similar sites found with APoc: 85
This union binding pocket(no: 1) in the query (biounit: 4r81.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4PTZ FMN None
2 1NU4 MLA None
3 2FKA BEF None
4 4WG0 CHD None
5 5MJI 7O6 0.970874
6 2CDU ADP 1.45631
7 2F2G HMH 1.45631
8 2JBM SRT 1.45631
9 2FCR FMN 2.31214
10 3ZF8 GDP 2.42718
11 1B74 DGN 2.42718
12 5F6U 5VK 2.54777
13 5JDA AMP 2.78552
14 5KJW 53C 2.91262
15 5AHO TLA 2.91262
16 1L5Y BEF 3.22581
17 6GAQ FMN 3.24675
18 4P83 U5P 3.2967
19 1B1C FMN 3.31492
20 5LJI FMN 3.37838
21 2Q9U FMN 3.39806
22 2F6U CIT 3.39806
23 5X8G S0N 3.39806
24 6FSG FMN 3.40136
25 4FK7 P34 3.8835
26 5FPE 3TR 3.8835
27 3CL5 SIO 3.8835
28 4POS NAG SIA GAL 3.8835
29 1VAY AZA 3.8835
30 2OYS FMN 4.36893
31 4MOB ADP 4.36893
32 3KL3 GCU 4.36893
33 5XHA FRU 4.36893
34 4NFE BEN 4.85437
35 2P39 SCR 5.16129
36 1WD4 AHR 5.33981
37 3AKI AH8 5.33981
38 3TW1 AHN 5.33981
39 2PW0 TRC 5.33981
40 1AG9 FMN 5.71429
41 4LTN FMN 6.09137
42 4LTN NAI 6.09137
43 4IEN GDP 6.13497
44 4FXQ G9L 6.31068
45 3C3D FO1 6.31068
46 1KJ1 MAN 6.31068
47 3R4S SLB 6.31068
48 5Y02 MXN 7.28155
49 1FDJ 13P 7.28155
50 3KLJ FAD 7.28155
51 1JQ3 AAT 7.76699
52 1V59 NAD 8.25243
53 5W75 SUC 8.25243
54 4RJD TFP 9.09091
55 2WC1 FMN 9.34066
56 3SVL FMN 9.84456
57 1MJT ITU 10.1942
58 3QDV A2G 10.4895
59 4BMO FMN 10.9244
60 1RLJ FMN 12.2302
61 5YJS SAL 12.6214
62 4WOE ADP 12.6214
63 4YQE PLQ 13.198
64 4YQE FMN 13.198
65 3L9W FMN 13.5922
66 2Z9C DTC 15.5
67 2Z9C FMN 15.5
68 3HCH RSM 16.4384
69 3N39 FMN 16.9935
70 1T5B FMN 18.9055
71 2B3D FAD 20.098
72 4N65 FMN 20.8738
73 4N65 AQN 20.8738
74 5JCM FAD 21.3592
75 5JCM NAD 21.3592
76 5JCM ISD 21.3592
77 3GFS FMN 25.8621
78 1QRD FAD 28.1553
79 5NUL FMN 29.7101
80 4C0X AQN 32.5123
81 4C0X FMN 32.5123
82 3JSX CC2 36.4078
83 3UXH UXH 36.4078
84 3UXH FAD 36.4078
85 3JSX FAD 36.4078
Pocket No.: 2; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 4r81.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3KP6 SAL None
2 3QMN A3P None
3 2E1A MSE None
4 5TWB FAD 1.94175
5 1L7N ALF 2.91262
6 5MW4 5JU 3.39806
7 1ELI PYC 3.39806
8 1QH9 LAC 4.36893
9 5GXU FMN 4.36893
10 3QPB URA 4.85437
11 1VQW FAD 4.85437
12 2GVC FAD 4.85437
13 2GV8 FAD 4.85437
14 43CA NPO 5.12821
15 2UWN SCR 5.34759
16 4OXX FMN 6.17284
17 4GPS CIT 6.31068
18 3OND NAD 6.79612
19 3OND ADN 6.79612
20 5Y02 HBX 7.28155
21 2ZQO NGA 7.69231
22 3QDW A2G 10.4895
23 3QDY A2G GAL 10.4895
24 3QDT A2G GAL 10.4895
25 3QDX A2G GAL 10.4895
26 4JCA CIT 10.7784
27 5MLJ 9ST 11.6071
28 1QO8 FAD 13.1068
29 1V8B NAD 14.0777
30 3UVD MB3 16.9355
Pocket No.: 3; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 4r81.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3OQJ 3CX 3.39806
2 6BQ6 TER 3.39806
3 4XFR CIT 3.39806
4 1CZR FMN 3.5503
5 2C29 NAP 3.8835
6 2C29 DQH 3.8835
7 1RP0 AHZ 3.8835
8 1GZF NIR 3.8835
9 6FA4 D1W 4.04624
10 5M6N 7H9 4.23729
11 2OX9 GAL NAG FUC 4.28571
12 4USQ FAD 4.36893
13 5FA6 NAP 4.85437
14 5FA6 FMN 4.85437
15 5FA6 FAD 4.85437
16 3WH2 FLC 5.44218
17 4GNC ASO 5.82524
18 1OBV FMN 6.50888
19 2OFD NGA 7.04225
20 4WCX MET 7.76699
21 4DE3 DN8 7.76699
22 4DZ1 DAL 8.73786
23 1Q1R FAD 10.6796
24 1AKV FMN 10.8844
25 2ATJ BHO 11.6505
26 2OO0 XAP 12.6214
27 6GAR FAD 12.6214
Pocket No.: 4; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 4r81.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2I7C AAT 0.970874
2 3AJ6 NGA 1.94175
3 4ONA UW1 2.91262
4 2JLD AG1 2.91262
5 1Y7P RIP 3.13901
6 1TLL FMN 3.39806
7 3VRY B43 3.39806
8 1COY FAD 3.8835
9 1E1M NAP 4.36893
10 1E1M FAD 4.36893
11 5Y77 FAD 4.36893
12 4TXI FAD 4.85437
13 5KMS FAD 4.85437
14 4UWJ 7L5 4.85437
15 4UWJ MYA 4.85437
16 2BRY FAD 4.85437
17 1BVY FMN 5.2356
18 1FL2 FAD 6.31068
19 5ZYN FAD 6.31068
20 3IWK NAD 6.79612
21 4YKG FAD 6.79612
22 5M67 NAD 7.28155
23 5M67 3D1 7.28155
24 5M67 ADE 7.28155
25 3AB1 FAD 7.28155
26 1KNR FAD 8.25243
27 4CNK FAD 8.73786
28 1GPE FAD 8.73786
29 1LVL NAD 9.70874
30 1H8P PC 11.0092
31 1E6E FAD 17.9688
Pocket No.: 5; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 4r81.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3FAX BGC GLC GLC 2.42718
2 3K6V CIT 10.6796
3 1NAA 6FA 10.6796
4 1NAA ABL 10.6796
5 4D42 NAP 14.0777
6 4D42 W0I 14.0777
Pocket No.: 6; Query (leader) PDB : 4R81; 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: 6) in the query (biounit: 4r81.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 4
This union binding pocket(no: 7) in the query (biounit: 4r81.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2Q4X HMH 1.45631
2 1JNR FAD 7.28155
3 2QGI UDP 7.76699
4 3AD8 NAD 9.2233
Pocket No.: 8; Query (leader) PDB : 4R81; 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: 8) in the query (biounit: 4r81.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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