-->
Receptor
PDB id Resolution Class Description Source Keywords
3W9Z 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF DUSC ESCHERICHIA COLI TIM BARREL REDUCTASE TRNA OXIDOREDUCTASE
Ref.: STRUCTURE OF DIHYDROURIDINE SYNTHASE C (DUSC) FROM ESCHERICHIA COLI ACTA CRYSTALLOGR.,SECT.F V. 69 834 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W9Z 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF DUSC ESCHERICHIA COLI TIM BARREL REDUCTASE TRNA OXIDOREDUCTASE
Ref.: STRUCTURE OF DIHYDROURIDINE SYNTHASE C (DUSC) FROM ESCHERICHIA COLI ACTA CRYSTALLOGR.,SECT.F V. 69 834 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3W9Z - 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 250 families.
1 3W9Z - 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 204 families.
1 3W9Z - 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 : 3W9Z; Ligand: FMN; Similar sites found with APoc: 189
This union binding pocket(no: 1) in the query (biounit: 3w9z.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z1D PEP None
2 2REG CHT 1.34228
3 6BFG FMN 1.5528
4 1P4C FMN 1.5528
5 1AL8 FMN 1.86335
6 4CW5 FMN 1.86335
7 1AL8 DHP 1.86335
8 1OVD ORO 1.92926
9 1OVD FMN 1.92926
10 3MJY IJZ 2.17391
11 3MJY FMN 2.17391
12 4WZH FMN 2.17391
13 3OIX FMN 2.17391
14 5XFV FMN 2.17391
15 5L2R MLA 2.17391
16 3C3N FMN 2.24359
17 3EXS 5RP 2.26244
18 1QDS PGA 2.39044
19 2Q3R FMN 2.48447
20 6BKA FMN 2.48447
21 5YJS SAL 2.48447
22 2C6Q NDP 2.48447
23 2C6Q IMP 2.48447
24 1ADO 13P 2.48447
25 2BLE 5GP 2.48447
26 4CJN QNZ 2.48447
27 1EYE PMM 2.5
28 1O68 KIV 2.54545
29 3TAO PGH 2.62172
30 1Q6O LG6 2.77778
31 1FDJ 13P 2.79503
32 2Z9V PXM 2.79503
33 5DYO FLU 2.83019
34 2YPI PGA 2.83401
35 1OYB HBA 3
36 1OYB FMN 3
37 4Q4K FMN 3.10559
38 4I9A NCN 3.125
39 4YMZ 13P 3.18725
40 1TRD PGH 3.2
41 1WOG 16D 3.27869
42 1DQX BMP 3.37079
43 4M5P FMN 3.41615
44 2Q3O FMN 3.41615
45 1PS9 FMN 3.41615
46 1OFD AKG 3.41615
47 1OFD FMN 3.41615
48 2ZZV LAC 3.41615
49 4J51 N75 3.41615
50 6BMN PAP 3.41615
51 4C1K PEP 3.43511
52 6FA4 D1W 3.46821
53 1QPR PPC 3.52113
54 5EYW PGA 3.61446
55 2Q8Z NUP 3.72671
56 1JCM 137 3.861
57 1W8S FBP 4.18251
58 2JE7 XMM 4.1841
59 1KBJ FMN 4.34783
60 1KBI FMN 4.34783
61 1KBI PYR 4.34783
62 2RDT FMN 4.34783
63 2RDT 2RD 4.34783
64 1C1X HFA 4.34783
65 1SW0 PGA 4.43548
66 2G30 ALA ALA PHE 4.65116
67 1TB3 FMN 4.65839
68 4N02 FNR 4.65839
69 2BTM PGA 4.7619
70 3CTL S6P 4.7619
71 4HKP 16B 4.80769
72 4HKP TKW 4.80769
73 1UUO BRF 4.96894
74 1UUO ORO 4.96894
75 1UUO FMN 4.96894
76 3GLC R5P 5.08475
77 3VRV YSD 5.16605
78 6GNO XDI 5.18518
79 5AHN IMP 5.2795
80 1F76 FMN 5.2795
81 5GJO PLP 5.2795
82 5AHM IMP 5.2795
83 4L2I NAD 5.2795
84 3MI2 PFU 5.37634
85 3W9F I3P 5.38462
86 4N14 WR7 5.41401
87 2FLI DX5 5.45455
88 4X7G NAP 5.57769
89 3PJU C2E 5.62249
90 3OVR 5SP 5.70175
91 2Z6I FMN 5.72289
92 2QCD U5P 5.76923
93 5TCI MLI 5.7971
94 3KRU FMN 5.90062
95 2GOU FMN 5.90062
96 2H8Z 8CM 6.21118
97 2H8Z FMN 6.21118
98 2GJN NIS 6.21118
99 2GJN FMN 6.21118
100 4IXH IMP 6.21118
101 3QH2 3NM 6.33484
102 1X1Z BMP 6.34921
103 1VKF CIT 6.38298
104 6F5W KG1 6.50407
105 4JIQ FMN 6.52174
106 4JIQ 1L5 6.52174
107 6DVH FMN 6.52174
108 5EXK MET 6.52174
109 1EIX BMQ 6.53061
110 4IGH 1EA 6.8323
111 4IGH ORO 6.8323
112 4IGH FMN 6.8323
113 4AF0 IMP 6.8323
114 6F9G PUT 6.85358
115 1LOR BMP 7.01754
116 4Z87 5GP 7.14286
117 4Z0G 5GP 7.14286
118 2WDQ TEO 7.14286
119 4QNW FMN 7.45342
120 2VD9 EPC 7.45342
121 2VD9 IN5 7.45342
122 4NAE 1GP 7.55556
123 2ZRU FMN 7.76398
124 2OO0 PLP 7.76398
125 1M5W DXP 7.81893
126 1Z44 FMN 8.07453
127 1Z42 FMN 8.07453
128 1Z48 FMN 8.07453
129 4A3U FMN 8.07453
130 1Z41 FMN 8.07453
131 2R14 FMN 8.07453
132 1ICP FMN 8.07453
133 2R14 TXD 8.07453
134 2NVA PL2 8.07453
135 5A5W GUO 8.3004
136 4LH0 GLV 8.38509
137 1OX5 1PR 8.38509
138 3UWV 2PG 8.42912
139 5O9W AKG 8.69565
140 3VKC FPQ 8.74126
141 5F90 LMR 8.97436
142 5F90 GLA GAL 8.97436
143 5IM3 DTP 9.00621
144 1VYP TNF 9.31677
145 1VYP FMN 9.31677
146 4TMC FMN 9.62733
147 4TMC HBA 9.62733
148 4FOU C2E 9.62733
149 4FOJ C2E 9.62733
150 1LYX PGA 10.0806
151 4RUS NDG 10.5042
152 4RUS NAG 10.5042
153 6BVE PGA 10.6122
154 2Z6J FMN 10.8696
155 3P48 DUP 10.8844
156 2HSA FMN 11.8012
157 5GVH FMN 12.1019
158 4ORM 2V6 12.1118
159 4ORM FMN 12.1118
160 4ORM ORO 12.1118
161 1TV5 FMN 12.1118
162 2C91 NAP 12.4224
163 2Y88 2ER 12.7049
164 4BI7 PGA 12.8405
165 1DJN FMN 13.6646
166 1ME8 RVP 13.6646
167 5CSS G3P 13.7168
168 1LBF 137 13.7652
169 3BW2 FMN 13.8211
170 1PVN MZP 13.9752
171 2NLI LAC 14.5963
172 2NLI FMN 14.5963
173 5J5R IMP 14.653
174 5J5R 6G1 14.653
175 3H22 B53 14.8148
176 1GTE FMN 15.528
177 1GTE IUR 15.528
178 6FX2 FUC C4W NAG BMA MAN NAG GAL 16.2791
179 1DBT U5P 16.318
180 4EWN 0VR 16.6008
181 4UTW RFW 17.4672
182 4UTU LRY 17.4672
183 2F6U CIT 19.2308
184 3HF3 FMN 19.4842
185 5OCS FMN 20.4969
186 1EP2 FMN 21.5434
187 1EP2 ORO 21.5434
188 4XP7 FNR 36.9565
189 1VHN FMN 37.4214
APoc FAQ
Feedback