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Receptor
PDB id Resolution Class Description Source Keywords
2Q9U 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE FLAVODIIRON PROTEIN FROM GIARDIA INTESTINALIS GIARDIA INTESTINALIS FLAVODOXIN LIKE BETA LACTAMASE LIKE OXIDOREDUCTASE
Ref.: THE O2-SCAVENGING FLAVODIIRON PROTEIN IN THE HUMAN PARASITE GIARDIA INTESTINALIS J.BIOL.CHEM. V. 283 4061 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6474_6475_ A:701;
Part of Protein;
none;
submit data n/a n/a n/a n/a
6476_ A:701;
Invalid;
none;
submit data n/a n/a n/a n/a
6516_6517_ B:701;
Part of Protein;
none;
submit data n/a n/a n/a n/a
6518_ B:701;
Invalid;
none;
submit data n/a n/a n/a n/a
FMN A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
NO3 A:501;
A:502;
A:503;
B:501;
B:502;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q9U 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE FLAVODIIRON PROTEIN FROM GIARDIA INTESTINALIS GIARDIA INTESTINALIS FLAVODOXIN LIKE BETA LACTAMASE LIKE OXIDOREDUCTASE
Ref.: THE O2-SCAVENGING FLAVODIIRON PROTEIN IN THE HUMAN PARASITE GIARDIA INTESTINALIS J.BIOL.CHEM. V. 283 4061 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2Q9U - 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 1205 families.
1 2Q9U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2Q9U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5LMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4D02 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1E5D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2OHH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2OHJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2OHI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 6FRN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 6FRM - 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 : 2Q9U; Ligand: FMN; Similar sites found with APoc: 74
This union binding pocket(no: 1) in the query (biounit: 2q9u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3FJO FMN 1.44928
2 2HIM ASN 1.67598
3 4IP7 FBP 1.69082
4 3UXH FAD 1.73913
5 3UXH UXH 1.73913
6 3P13 RIP 2.08333
7 5BSH PRO 2.16606
8 4CP8 MLI 2.17391
9 4N65 AQN 2.35849
10 4N65 FMN 2.35849
11 1FDJ 13P 2.47934
12 1FDJ 2FP 2.47934
13 3AKI AH8 2.89855
14 1NU4 MLA 3.09278
15 4R81 FMN 3.39806
16 4PTZ FMN 3.66492
17 1T0I FMN 3.66492
18 5GXU FMN 3.86473
19 3HQP FDP 3.86473
20 5H6S HDH 3.86473
21 4C0X FMN 3.94089
22 4C0X AQN 3.94089
23 2FCR FMN 4.04624
24 3F6R FMN 4.05405
25 1TLL FMN 4.10628
26 1RYO OXL 4.28135
27 4KCT FDP 4.34783
28 1OGD RIP 4.58015
29 3GFS FMN 4.5977
30 1AKV FMN 4.7619
31 3S2Y FMN 4.83092
32 5DNC ASN 4.83092
33 3JSX CC2 5.12821
34 3JSX FAD 5.12821
35 4R8L ASP 5.45455
36 4NFE BEN 5.48523
37 1QRD FAD 5.49451
38 4B2D FBP 5.55556
39 4BMO FMN 5.88235
40 1WD4 AHR 6.52174
41 4WOH 4NP 6.62651
42 5FA6 FAD 7.00483
43 5FA6 FMN 7.00483
44 5FA6 NAP 7.00483
45 4LTN FMN 7.1066
46 4LTN NAI 7.1066
47 2JK0 ASP 7.69231
48 1O5O U5P 8.1448
49 6BYF CIT 8.82353
50 1BVY FMN 9.42408
51 2Z9C FMN 9.5
52 2Z9C DTC 9.5
53 4N82 FMN 9.55056
54 4H2D FMN 9.69697
55 2OFD NGA 9.85915
56 1B1C FMN 9.94475
57 1T5B FMN 9.95025
58 3QDV A2G 10.4895
59 3QDW A2G 10.4895
60 2IMG MLT 10.596
61 1ZHS NAG NAG BMA MAN MAN 11.5044
62 5K9B FMN 12.2222
63 3N39 FMN 14.3791
64 1AG9 FMN 14.8571
65 1L5Y BEF 16.129
66 4HEQ FMN 17.8082
67 4YQE PLQ 19.2893
68 4YQE FMN 19.2893
69 1OBV FMN 21.3018
70 2D2F ADP 22
71 1CZR FMN 22.4852
72 3LN9 FLC 24.4604
73 5NUL FMN 25.3623
74 3KAP FMN 34.6939
Pocket No.: 2; Query (leader) PDB : 2Q9U; 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: 2q9u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Q9U; Ligand: FMN; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 2q9u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZUY TCH 2.78638
2 4AGS GSH 3.60934
3 1YQT ADP 3.62319
4 2WCU FUC 10.0671
Pocket No.: 4; Query (leader) PDB : 2Q9U; 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: 2q9u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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