Receptor
PDB id Resolution Class Description Source Keywords
4XP7 1.9 Å EC: 1.3.1.- CRYSTAL STRUCTURE OF HUMAN TRNA DIHYDROURIDINE SYNTHASE 2 HOMO SAPIENS TRNA DUS OXIDOREDUCTASE
Ref.: FROM BACTERIAL TO HUMAN DIHYDROURIDINE SYNTHASE: AU STRUCTURE DETERMINATION. ACTA CRYSTALLOGR.,SECT.D V. 71 1564 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FNR A:401;
Valid;
none;
submit data
458.36 C17 H23 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XP7 1.9 Å EC: 1.3.1.- CRYSTAL STRUCTURE OF HUMAN TRNA DIHYDROURIDINE SYNTHASE 2 HOMO SAPIENS TRNA DUS OXIDOREDUCTASE
Ref.: FROM BACTERIAL TO HUMAN DIHYDROURIDINE SYNTHASE: AU STRUCTURE DETERMINATION. ACTA CRYSTALLOGR.,SECT.D V. 71 1564 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4XP7 - FNR C17 H23 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 4 families.
1 4XP7 - FNR C17 H23 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 3 families.
1 4XP7 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FNR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FNR 1 1
2 FDA 0.532258 0.892857
3 4LS 0.525773 0.961538
4 4LU 0.480769 0.903614
5 FMN 0.444444 0.909091
6 4MJ 0.418033 0.914634
7 VNR 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XP7; Ligand: FNR; Similar sites found: 98
This union binding pocket(no: 1) in the query (biounit: 4xp7.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.008867 0.41177 None
2 4GK9 MAN BMA MAN MAN MAN 0.004658 0.43728 1.07527
3 3GLC R5P 0.01156 0.4048 1.69492
4 1Z44 FMN 0.000000008853 0.68181 1.77515
5 1Z42 FMN 0.00000002349 0.67244 1.77515
6 1Z41 FMN 0.00000001229 0.66543 1.77515
7 2B4G FMN 0.000003317 0.48177 1.89274
8 4WZH FMN 0.0000109 0.47119 2.02312
9 3MJY FMN 0.000005347 0.44451 2.02312
10 3MJY IJZ 0.000005347 0.44451 2.02312
11 3OIX FMN 0.0001176 0.48514 2.02899
12 3N9R TD3 0.006455 0.42107 2.28013
13 3MI2 PFU 0.02998 0.40294 2.50896
14 2Q3O FMN 0.00000003206 0.59035 2.60116
15 2HSA FMN 0.00000001696 0.53799 2.60116
16 1TB3 FMN 0.00000008981 0.50943 2.60116
17 4CW5 FMN 0.00001436 0.51557 2.64317
18 1VKF CIT 0.006133 0.43287 2.65957
19 2QCD U5P 0.005027 0.40074 2.69231
20 4A3U FMN 0.000000006418 0.66613 2.89017
21 1ICP FMN 0.000000005791 0.55084 2.89017
22 3EXS 5RP 0.0005256 0.4736 3.16742
23 1VYP FMN 0.00000002515 0.55916 3.17919
24 1VYP TNF 0.00000004784 0.55863 3.17919
25 1TV5 FMN 0.00003559 0.4494 3.17919
26 4N02 FNR 0.01358 0.44922 3.17919
27 2FLI DX5 0.003873 0.4054 3.18182
28 5EYW PGA 0.009935 0.41638 3.21285
29 4TMC FMN 0.00000007803 0.57489 3.46821
30 4TMC HBA 0.0000001191 0.54686 3.46821
31 4RNV FMN 0.003457 0.43925 3.46821
32 4RNV HBA 0.003966 0.43752 3.46821
33 3KRU FMN 0.00000006017 0.64891 3.49854
34 3C3N FMN 0.000009215 0.42345 3.52564
35 4YMZ 13P 0.00557 0.42884 3.58566
36 2D2F ADP 0.009101 0.42345 3.6
37 5TCI MLI 0.008359 0.42809 3.62319
38 1Q6O LG6 0.002361 0.42844 3.7037
39 2Q3R FMN 0.000000001742 0.68726 3.75723
40 1PS9 FMN 0.000001106 0.57163 3.75723
41 4HKP 16B 0.005432 0.40489 3.84615
42 2BTM PGA 0.00665 0.42503 3.96825
43 4NAE 1GP 0.0005547 0.48768 4
44 1TRD PGH 0.004611 0.42363 4
45 4JIQ FMN 0.00000001378 0.56948 4.04624
46 4JIQ 1L5 0.00000001378 0.56948 4.04624
47 2YPI PGA 0.006358 0.42138 4.04858
48 1W8S FBP 0.009407 0.40513 4.18251
49 4ORM ORO 0.0002014 0.51857 4.2394
50 4ORM FMN 0.0002014 0.51857 4.2394
51 4ORM 2V6 0.0002014 0.51857 4.2394
52 4Q4K FMN 0.0000001122 0.53938 4.33526
53 3QH2 3NM 0.001273 0.46643 4.52489
54 1WPQ 13P 0.03117 0.4021 4.62428
55 3TAO PGH 0.002956 0.43744 4.86891
56 4M1U A2G MBG 0.02376 0.40381 5.05051
57 5OCS FMN 0.000000003304 0.67169 5.20231
58 4OHB 5HM 0.01092 0.41002 5.20231
59 1AD4 HH2 0.009179 0.40562 5.26316
60 4UTU LRY 0.0006544 0.45834 5.67686
61 4UTW RFW 0.0008265 0.4489 5.67686
62 2G30 ALA ALA PHE 0.00205 0.46455 5.81395
63 1SW0 PGA 0.005269 0.4209 6.85484
64 1KBJ FMN 0.0009825 0.47932 6.93642
65 4QNW FMN 0.000000004983 0.63431 7.22543
66 5G4R LF1 0.01174 0.4085 7.62712
67 4MPO AMP 0.0189 0.41023 8.49673
68 2GJN FMN 0.0000004091 0.5215 8.84146
69 2GJN NIS 0.0000005185 0.50211 8.84146
70 5CSS G3P 0.002263 0.44821 8.84956
71 2F6U CIT 0.01735 0.40868 8.97436
72 3ATY FMN 0.000000004713 0.59427 9.24856
73 2Z6I FMN 0.000002324 0.51656 9.93976
74 1F76 FMN 0.00003282 0.45439 10.119
75 2FJK 13P 0.0052 0.4256 10.1639
76 2Z6J FMN 0.0000006641 0.48434 10.241
77 4EWN 0VR 0.001676 0.43512 10.6719
78 4DSU BZI 0.004904 0.44258 11.1111
79 2WCI GSH 0.01854 0.40491 11.1111
80 1QKQ MAN 0.01663 0.40965 11.2676
81 3HF3 FMN 0.000000009734 0.62059 11.4613
82 2GOU FMN 0.0000002148 0.47698 11.5607
83 2ZRU FMN 0.0000005294 0.45262 11.5607
84 1OVD FMN 0.00000198 0.43745 12.5402
85 1OVD ORO 0.00000198 0.43745 12.5402
86 3QX9 ATP 0.02215 0.4067 13.0435
87 1M3U KPL 0.02022 0.40101 13.2576
88 4IGH 1EA 0.0001352 0.52787 13.2948
89 4IGH FMN 0.0001352 0.52787 13.2948
90 4IGH ORO 0.0001352 0.52787 13.2948
91 1OFD AKG 0.000001086 0.45776 13.2948
92 1OFD FMN 0.000001297 0.44478 13.2948
93 1DJN FMN 0.000003481 0.50721 15.0289
94 1GTE IUR 0.000003077 0.44183 15.0289
95 1GTE FMN 0.000003077 0.44183 15.0289
96 3B0P FMN 0.000000000002285 0.83275 23.1214
97 1VHN FMN 0.0000000003813 0.75656 32.0755
98 3W9Z FMN 0.0000000000655 0.74477 36.9565
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