Receptor
PDB id Resolution Class Description Source Keywords
4ZAF 1.71 Å EC: 4.1.1.- STRUCTURE OF UBIX IN COMPLEX WITH OXIDISED FMN AND DIMETHYLA MONOPHOSPHATE PSEUDOMONAS AERUGINOSA PRENYL TRANSFERASE FLAVIN BINDING UBIX LYASE
Ref.: UBIX IS A FLAVIN PRENYLTRANSFERASE REQUIRED FOR BAC UBIQUINONE BIOSYNTHESIS. NATURE V. 522 497 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SCN A:304;
A:303;
A:306;
A:305;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
58.082 C N S C(#N)...
K A:307;
Invalid;
none;
submit data
39.098 K [K+]
4LR A:301;
Valid;
none;
Kd = 12 uM
166.112 C5 H11 O4 P CC(=C...
FMN A:302;
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
4ZAL 1.62 Å EC: 4.1.1.- STRUCTURE OF UBIX E49Q MUTANT IN COMPLEX WITH REDUCED FMN AN DIMETHYLALLYL MONOPHOSPHATE PSEUDOMONAS AERUGINOSA PRENYL TRANSFERASE UBIX FMN BINDING LYASE
Ref.: UBIX IS A FLAVIN PRENYLTRANSFERASE REQUIRED FOR BAC UBIQUINONE BIOSYNTHESIS. NATURE V. 522 497 2015
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4ZAW - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 6QLI - 4LR C5 H11 O4 P CC(=CCOP(=....
3 4ZAF Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
4 6QLL - 4LR C5 H11 O4 P CC(=CCOP(=....
5 3ZQU - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
6 4ZAY - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
7 4ZAG Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
8 4ZAV - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
9 6QLK - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
10 4ZAX - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 6QLJ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
12 4ZAL Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
13 6QLH - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
14 4ZAN Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
15 6QLV - HZZ C10 H19 O4 P CC(=CCC/C(....
16 4ZAZ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4ZAW - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 6QLI - 4LR C5 H11 O4 P CC(=CCOP(=....
3 4ZAF Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
4 6QLL - 4LR C5 H11 O4 P CC(=CCOP(=....
5 3ZQU - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
6 4ZAY - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
7 4ZAG Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
8 4ZAV - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
9 6QLK - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
10 4ZAX - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 6QLJ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
12 4ZAL Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
13 6QLH - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
14 4ZAN Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
15 6QLV - HZZ C10 H19 O4 P CC(=CCC/C(....
16 4ZAZ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4RHE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4ZAW - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
3 6QLI - 4LR C5 H11 O4 P CC(=CCOP(=....
4 4ZAF Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
5 6QLL - 4LR C5 H11 O4 P CC(=CCOP(=....
6 3ZQU - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
7 4ZAY - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
8 4ZAG Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
9 4ZAV - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
10 6QLK - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 4ZAX - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
12 6QLJ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
13 4ZAL Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
14 6QLH - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 4ZAN Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
16 6QLV - HZZ C10 H19 O4 P CC(=CCC/C(....
17 4ZAZ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
18 6QLG - DMA C5 H12 O7 P2 CC(=CCO[P@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4LR; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 4LR 1 1
2 DMA 0.588235 0.909091
3 HZZ 0.567568 0.857143
4 9GB 0.542857 0.828571
5 0K3 0.525 0.810811
6 DSL 0.525 0.810811
7 FJP 0.525 0.833333
8 H6P 0.414634 0.736842
9 10E 0.404762 0.651163
Ligand no: 2; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: 4LR; Similar ligands found: 287
No: Ligand Similarity coefficient
1 IP8 0.9966
2 CCD 0.9904
3 GPJ 0.9888
4 3S5 0.9879
5 RTK 0.9857
6 CHH 0.9833
7 AT3 0.9827
8 ACH 0.9719
9 NM3 0.9715
10 13P 0.9714
11 CCE 0.9682
12 GPF 0.9660
13 1SA 0.9633
14 LTL 0.9610
15 PC 0.9607
16 1SH 0.9590
17 G3P 0.9585
18 DHM 0.9573
19 PEP 0.9527
20 G3H 0.9516
21 3PG 0.9508
22 GUA 0.9467
23 129 0.9449
24 FOM 0.9443
25 0VT 0.9442
26 PGH 0.9442
27 GP9 0.9432
28 GVM 0.9427
29 HG3 0.9426
30 CYX 0.9425
31 TSU 0.9421
32 E4P 0.9416
33 8K2 0.9390
34 SEP 0.9386
35 SAN 0.9377
36 PGA 0.9374
37 HPV 0.9370
38 152 0.9364
39 HBU 0.9360
40 URP 0.9357
41 GLU 0.9329
42 3PP 0.9318
43 4J8 0.9303
44 MZT 0.9292
45 OEG 0.9288
46 1GP 0.9282
47 QFJ 0.9281
48 AKG 0.9281
49 FCR 0.9277
50 MLT 0.9258
51 HMS 0.9257
52 MSL 0.9256
53 FBS 0.9254
54 X1S 0.9254
55 DGN 0.9246
56 FUM 0.9227
57 AMS 0.9224
58 KVP 0.9206
59 1X4 0.9204
60 3YP 0.9201
61 3HG 0.9196
62 NSB 0.9194
63 2HG 0.9193
64 OGA 0.9184
65 GLN 0.9183
66 UN1 0.9181
67 BHU 0.9175
68 OKG 0.9175
69 ASP 0.9175
70 GZ3 0.9172
71 PPR 0.9171
72 LMR 0.9164
73 7BC 0.9162
74 OPE 0.9162
75 CCU 0.9160
76 SIN 0.9156
77 PLU 0.9155
78 LEU 0.9148
79 PMB 0.9144
80 AG2 0.9142
81 DGL 0.9139
82 3SL 0.9139
83 MES 0.9138
84 S2G 0.9133
85 SHV 0.9130
86 OAA 0.9130
87 LUQ 0.9127
88 PEQ 0.9124
89 KMH 0.9113
90 650 0.9111
91 HPN 0.9111
92 0V5 0.9105
93 FB2 0.9105
94 ONL 0.9101
95 2IT 0.9099
96 GGL 0.9097
97 ACA 0.9096
98 9YT 0.9091
99 9ON 0.9090
100 R9M 0.9089
101 AAS 0.9085
102 KPC 0.9080
103 OSE 0.9078
104 QMP 0.9078
105 ZGL 0.9077
106 RUJ 0.9075
107 KVV 0.9075
108 8EW 0.9074
109 6NA 0.9073
110 MHN 0.9073
111 B85 0.9069
112 URO 0.9068
113 COI 0.9063
114 TPO 0.9061
115 PSE 0.9060
116 3LR 0.9058
117 DIR 0.9055
118 MEQ 0.9053
119 4JC 0.9053
120 EOU 0.9039
121 HBD 0.9039
122 HIS 0.9036
123 HHI 0.9036
124 MAH 0.9034
125 X0V 0.9034
126 TIH 0.9033
127 S8V 0.9032
128 HGA 0.9027
129 11C 0.9022
130 VKC 0.9022
131 TIU 0.9022
132 7UC 0.9021
133 PG3 0.9015
134 M4S 0.9014
135 N6C 0.9014
136 LLQ 0.9010
137 DQY 0.9009
138 3OL 0.9008
139 3OM 0.9008
140 SME 0.9003
141 HTX 0.9002
142 GWM 0.8999
143 4SX 0.8999
144 5XA 0.8998
145 HSO 0.8993
146 R67 0.8992
147 NLE 0.8988
148 EKZ 0.8984
149 0L1 0.8982
150 NM2 0.8982
151 SYC 0.8979
152 K6V 0.8972
153 Q9Z 0.8969
154 NLP 0.8961
155 4FH 0.8959
156 HPS 0.8956
157 ALA ALA 0.8952
158 SHF 0.8939
159 FOC 0.8938
160 SPV 0.8931
161 GLY GLY 0.8930
162 DZA 0.8925
163 ORN 0.8923
164 H95 0.8921
165 A20 0.8917
166 DER 0.8914
167 HX2 0.8914
168 SYM 0.8905
169 MPH 0.8905
170 ASN 0.8905
171 DAV 0.8902
172 2JJ 0.8896
173 M45 0.8896
174 FK8 0.8893
175 9J3 0.8892
176 J0Z 0.8889
177 7C3 0.8883
178 SPA 0.8882
179 OK7 0.8881
180 DE5 0.8880
181 PAH 0.8878
182 ONH 0.8877
183 A09 0.8876
184 PAC 0.8871
185 NNH 0.8868
186 49F 0.8868
187 QY9 0.8867
188 173 0.8864
189 4MV 0.8863
190 PHU 0.8855
191 DLY 0.8848
192 K34 0.8848
193 SHO 0.8843
194 2FM 0.8841
195 AL0 0.8841
196 TCA 0.8841
197 DAL DAL 0.8837
198 LYN 0.8835
199 BHH 0.8834
200 16D 0.8834
201 DII 0.8832
202 PO6 0.8830
203 HDH 0.8828
204 URS 0.8827
205 2FT 0.8826
206 R2P 0.8824
207 LYS 0.8823
208 DHI 0.8822
209 XIZ 0.8821
210 MUC 0.8820
211 AHN 0.8820
212 MET 0.8812
213 KMT 0.8811
214 DYT 0.8806
215 MED 0.8792
216 ENV 0.8788
217 IXW 0.8786
218 SD4 0.8785
219 MHO 0.8785
220 IZC 0.8784
221 2BX 0.8783
222 OTR 0.8783
223 TEO 0.8780
224 RNT 0.8780
225 KBZ 0.8778
226 HCI 0.8778
227 PPY 0.8775
228 MF3 0.8774
229 5XB 0.8774
230 PG0 0.8773
231 GJZ 0.8771
232 GOJ 0.8764
233 IVL 0.8763
234 CXP 0.8762
235 2RH 0.8753
236 DEZ 0.8744
237 SSB 0.8744
238 NF3 0.8743
239 I38 0.8743
240 KTA 0.8741
241 HL5 0.8741
242 PIM 0.8741
243 SOR 0.8739
244 HIC 0.8733
245 LNO 0.8732
246 3QM 0.8732
247 8GL 0.8730
248 J9N 0.8726
249 2CO 0.8724
250 M6H 0.8719
251 DPN 0.8718
252 M3H 0.8718
253 RP3 0.8715
254 MTL 0.8715
255 4HP 0.8710
256 Q07 0.8703
257 BNF 0.8702
258 LFC 0.8693
259 F98 0.8689
260 DLT 0.8683
261 DAS 0.8682
262 RNS 0.8681
263 MSE 0.8673
264 PRA 0.8664
265 SOL 0.8654
266 I4B 0.8651
267 PBA 0.8651
268 OOG 0.8650
269 HF2 0.8639
270 O45 0.8637
271 HFA 0.8631
272 1L5 0.8631
273 4TB 0.8631
274 DS0 0.8625
275 PHE 0.8620
276 B40 0.8618
277 PSJ 0.8617
278 DXP 0.8616
279 OCT 0.8616
280 HX4 0.8605
281 AEG 0.8600
282 NFA 0.8598
283 M4T 0.8596
284 API 0.8579
285 EVF 0.8551
286 SHI 0.8522
287 40E 0.8520
Ligand no: 2; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
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