Receptor
PDB id Resolution Class Description Source Keywords
1E5D 2.5 Å EC: 1.-.-.- RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS DESULFOVIBRIO GIGAS OXIDOREDUCTASE OXYGENREDUCTASE DIIRON-CENTRE FLAVOPROTEINS LACTAMASE-FOLD
Ref.: STRUCTURE OF A DIOXYGEN REDUCTION ENZYME FROM DESULFOVIBRIO GIGAS NAT.STRUCT.BIOL. V. 7 1041 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6360_6361_ A:404;
Part of Protein;
none;
submit data n/a n/a n/a n/a
6362_ A:404;
Invalid;
none;
submit data n/a n/a n/a n/a
6396_6397_ B:404;
Part of Protein;
none;
submit data n/a n/a n/a n/a
6398_ B:404;
Invalid;
none;
submit data n/a n/a n/a n/a
FMN A:403;
B:403;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
OXY A:405;
B:405;
Invalid;
Invalid;
none;
none;
submit data
31.999 O2 O=O
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1E5D 2.5 Å EC: 1.-.-.- RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS DESULFOVIBRIO GIGAS OXIDOREDUCTASE OXYGENREDUCTASE DIIRON-CENTRE FLAVOPROTEINS LACTAMASE-FOLD
Ref.: STRUCTURE OF A DIOXYGEN REDUCTION ENZYME FROM DESULFOVIBRIO GIGAS NAT.STRUCT.BIOL. V. 7 1041 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1E5D - 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 247 families.
1 1E5D - 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 177 families.
1 1E5D - 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 : 1E5D; Ligand: FMN; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 1e5d.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LTN FMN 0.000002555 0.5518 None
2 4LTN NAI 0.000004411 0.53007 None
3 1LCF OXL 0.02397 0.4056 1.49254
4 4KCT FDP 0.01824 0.40199 1.49254
5 4H2D FMN 0.0002221 0.47302 1.81818
6 5FA6 NAP 0.0009215 0.47709 1.99005
7 5FA6 FAD 0.0008923 0.47709 1.99005
8 5FA6 FMN 0.0008923 0.47709 1.99005
9 3L9W FMN 0.001924 0.43998 1.99005
10 5GXU FMN 0.0002102 0.43632 1.99005
11 2Z9C FMN 0.000007826 0.53089 2
12 1JJ7 ADP 0.03625 0.40017 2.30769
13 2CYC TYR 0.009762 0.43048 2.4
14 2B3D FAD 0.0002064 0.45012 2.45098
15 3DC4 ADP 0.01693 0.41582 2.73632
16 3FJO FMN 0.00004168 0.49964 2.98507
17 2Q0L NAP 0.01138 0.4045 3.21543
18 4PPF FLC 0.01007 0.43038 3.42857
19 1T5B FMN 0.00001358 0.52632 3.48259
20 2VHL GLP 0.01938 0.40848 3.78788
21 1L5Y BEF 0.02532 0.40293 3.87097
22 2PKA BEN 0.03537 0.40116 3.94737
23 1IXE CIT 0.02858 0.40606 3.97878
24 1BVY FMN 0.00004613 0.49273 3.9801
25 1TLL FMN 0.000662 0.43641 3.9801
26 4S1D 41M 0.03278 0.40079 4.09091
27 1B1C FMN 0.000454 0.45938 4.41989
28 3AJ6 NGA 0.02656 0.40988 4.54545
29 2WJG GDP 0.02684 0.40126 4.78723
30 1IG3 VIB 0.01748 0.42346 5.32319
31 1QRD FAD 0.001266 0.44832 5.49451
32 1RYO OXL 0.0253 0.40232 5.50459
33 1RLJ FMN 0.00009288 0.49487 5.7554
34 3LN9 FLC 0.00317 0.46085 5.7554
35 1G6H ADP 0.02196 0.41372 5.83658
36 2HIM ASP 0.03397 0.40117 5.86592
37 2F5X ASP 0.02926 0.40509 6.08974
38 1AG9 FMN 0.00001472 0.47781 6.28571
39 2J0W ASP 0.03054 0.40104 6.46766
40 4OWK NGA 0.01329 0.42658 6.52174
41 3N39 FMN 0.0001462 0.46301 6.53595
42 4C0X FMN 0.00001932 0.47519 6.89655
43 4C0X AQN 0.00002729 0.44449 6.89655
44 2W58 ADP 0.01707 0.41537 6.93069
45 2D2F ADP 0.007307 0.44459 7.2
46 1G8S MET 0.01521 0.41743 7.3913
47 3GFS FMN 0.00001825 0.54619 7.47126
48 2FCR FMN 0.0000707 0.43927 7.51445
49 4OXX FMN 0.0001104 0.48635 8.02469
50 2OYS FMN 0.0002761 0.45997 8.26446
51 1AKV FMN 0.00001477 0.50337 8.84354
52 1R6N 434 0.02455 0.40651 9.00474
53 1AX2 NDG GAL 0.02566 0.40638 9.20502
54 2XOD FMN 0.00005806 0.49345 9.2437
55 4BMO FMN 0.00004046 0.47197 9.2437
56 2WIC GNP 0.01829 0.40193 10.8614
57 4M6G ALA ZGL 0.01968 0.41316 11.1111
58 1CZR FMN 0.00003005 0.46643 11.2426
59 4KFU ACP 0.0429 0.40403 11.3208
60 4N65 AQN 0.00001305 0.48942 11.7925
61 4N65 FMN 0.00001942 0.46232 11.7925
62 1D1Q 4NP 0.0286 0.40338 11.8012
63 2IMG MLT 0.03299 0.4048 12.5828
64 4R2I ANP 0.02773 0.4046 13.3333
65 4PTZ FMN 0.00000588 0.54864 13.6126
66 2RDK MAN MAN 0.02144 0.41046 13.7615
67 3JSX CC2 0.005727 0.44017 18.6813
68 3JSX FAD 0.001395 0.42672 18.6813
69 3QDV A2G 0.02368 0.42292 18.8811
70 3QDW A2G 0.02461 0.42096 18.8811
71 3QDY A2G GAL 0.03287 0.41184 18.8811
72 3QDT A2G GAL 0.03461 0.41003 18.8811
73 1OBV FMN 0.000002274 0.55398 19.5266
74 2WC1 FMN 0.00002863 0.5121 19.7802
75 3SVL FMN 0.0004764 0.46301 20.7254
76 5LJI FMN 0.0000009722 0.59116 39.8649
77 5NUL FMN 0.000000004993 0.68641 44.9275
78 2Q9U FMN 0.0000000001147 0.74913 49.5025
Pocket No.: 2; Query (leader) PDB : 1E5D; 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: 1e5d.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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