Receptor
PDB id Resolution Class Description Source Keywords
2V7V 1.94 Å EC: 2.5.1.63 X-RAY CRYSTAL STRUCTURE OF 5'-FLUORODEOXYADENOSINE SYNTHASE STREPTOMYCES CATTLEYA COMPLEXED WITH 5'-FLUORODEOXYADENOSIN STREPTOMYCES CATTLEYA TRANSFERASE MECHANISM OF FLUORINATION BIOSYNTHETIC PROTEIN
Ref.: MECHANISM OF ENZYMATIC FLUORINATION IN STREPTOMYCES CATTLEYA. J. AM. CHEM. SOC. V. 129 14597 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5FD A:1299;
C:1299;
C:1300;
Valid;
Valid;
Valid;
none;
none;
none;
Ka = 4550000 M^-1
271.248 C10 H14 F N5 O3 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V7T 2.15 Å EC: 2.5.1.63 X-RAY CRYSTAL STRUCTURE OF 5'-FLUORODEOXYADENOSINE SYNTHASE MUTANT COMPLEXED WITH S-ADENOSYL-L-HOMOCYSTEINE AND CHLORID STREPTOMYCES CATTLEYA TRANSFERASE MECHANISM OF FLUORINATION BIOSYNTHETIC PROTEIN
Ref.: MECHANISM OF ENZYMATIC FLUORINATION IN STREPTOMYCES CATTLEYA. J. AM. CHEM. SOC. V. 129 14597 2007
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V7T Ka = 30200000 M^-1 SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2CC2 - 5AD C10 H13 N5 O3 C[C@@H]1[C....
3 2CBX - CC5 C9 H11 N5 O3 c1nc(c2c(n....
4 2V7V Ka = 4550000 M^-1 5FD C10 H14 F N5 O3 [H]/N=C/1C....
5 2V7W - 5FD C10 H14 F N5 O3 [H]/N=C/1C....
6 2V7X Ka = 59000 M^-1 MET C5 H11 N O2 S CSCC[C@@H]....
7 5FIU Ka = 2710000 M^-1 Y3J C10 H11 F2 N5 O3 c1nc(c2c(n....
8 2V7U Ka = 800000 M^-1 SAM C15 H22 N6 O5 S C[S@@+](CC....
9 1RQP - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 2C2W - 5CD C10 H12 Cl N5 O3 c1nc(c2c(n....
11 2C5B - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V7T Ka = 30200000 M^-1 SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 2CC2 - 5AD C10 H13 N5 O3 C[C@@H]1[C....
3 2CBX - CC5 C9 H11 N5 O3 c1nc(c2c(n....
4 2V7V Ka = 4550000 M^-1 5FD C10 H14 F N5 O3 [H]/N=C/1C....
5 2V7W - 5FD C10 H14 F N5 O3 [H]/N=C/1C....
6 2V7X Ka = 59000 M^-1 MET C5 H11 N O2 S CSCC[C@@H]....
7 5FIU Ka = 2710000 M^-1 Y3J C10 H11 F2 N5 O3 c1nc(c2c(n....
8 2V7U Ka = 800000 M^-1 SAM C15 H22 N6 O5 S C[S@@+](CC....
9 1RQP - SAM C15 H22 N6 O5 S C[S@@+](CC....
10 2C2W - 5CD C10 H12 Cl N5 O3 c1nc(c2c(n....
11 2C5B - MET C5 H11 N O2 S CSCC[C@@H]....
12 5B6I - MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 2Q6K - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 6RYZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 2Q6O - SAM C15 H22 N6 O5 S C[S@@+](CC....
4 6RZ2 - 5CD C10 H12 Cl N5 O3 c1nc(c2c(n....
5 7CCG - 5CD C10 H12 Cl N5 O3 c1nc(c2c(n....
6 2V7T Ka = 30200000 M^-1 SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 2CC2 - 5AD C10 H13 N5 O3 C[C@@H]1[C....
8 2CBX - CC5 C9 H11 N5 O3 c1nc(c2c(n....
9 2V7V Ka = 4550000 M^-1 5FD C10 H14 F N5 O3 [H]/N=C/1C....
10 2V7W - 5FD C10 H14 F N5 O3 [H]/N=C/1C....
11 2V7X Ka = 59000 M^-1 MET C5 H11 N O2 S CSCC[C@@H]....
12 5FIU Ka = 2710000 M^-1 Y3J C10 H11 F2 N5 O3 c1nc(c2c(n....
13 2V7U Ka = 800000 M^-1 SAM C15 H22 N6 O5 S C[S@@+](CC....
14 1RQP - SAM C15 H22 N6 O5 S C[S@@+](CC....
15 2C2W - 5CD C10 H12 Cl N5 O3 c1nc(c2c(n....
16 2C5B - MET C5 H11 N O2 S CSCC[C@@H]....
17 5B6I - MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5FD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5FD 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5FD; Similar ligands found: 387
No: Ligand Similarity coefficient
1 ADN 0.9993
2 5CD 0.9910
3 A 0.9881
4 AD3 0.9845
5 5N5 0.9839
6 MDR 0.9838
7 NOC 0.9834
8 ARJ 0.9834
9 FMB 0.9830
10 5AD 0.9817
11 1DA 0.9808
12 3D1 0.9794
13 5F1 0.9782
14 3AD 0.9759
15 Y3J 0.9754
16 PRH 0.9753
17 AFX 0.9737
18 HPR 0.9736
19 3BH 0.9731
20 MTA 0.9722
21 GMP 0.9715
22 DBM 0.9684
23 TBN 0.9676
24 NOS 0.9668
25 FMC 0.9658
26 5ID 0.9637
27 2FA 0.9635
28 IMH 0.9630
29 8OX 0.9616
30 UA2 0.9604
31 MTI 0.9570
32 GNG 0.9565
33 6MD 0.9539
34 PUR 0.9536
35 MTM 0.9518
36 7D7 0.9517
37 XYA 0.9495
38 CFE 0.9493
39 IMG 0.9492
40 A4D 0.9491
41 RAB 0.9487
42 9DI 0.9485
43 THM 0.9484
44 5UD 0.9475
45 5I5 0.9472
46 CL9 0.9470
47 FTU 0.9468
48 EKH 0.9455
49 5NB 0.9453
50 CC5 0.9445
51 4UO 0.9444
52 CTN 0.9433
53 MTP 0.9430
54 RPP 0.9408
55 B86 0.9395
56 26A 0.9394
57 MG7 0.9388
58 EP4 0.9388
59 MTH 0.9380
60 URI 0.9355
61 TAL 0.9350
62 NWW 0.9335
63 ZAS 0.9330
64 SCT 0.9320
65 6CR 0.9318
66 DCF 0.9304
67 HO4 0.9300
68 MZR 0.9292
69 H7S 0.9274
70 RFZ 0.9267
71 FM2 0.9248
72 5MD 0.9243
73 MCF 0.9228
74 8HG 0.9227
75 3DH 0.9224
76 XYP XDN 0.9222
77 XYS XYP 0.9211
78 XYP XYP 0.9209
79 28A 0.9207
80 XDN XYP 0.9205
81 XIL 0.9199
82 833 0.9198
83 13A 0.9198
84 Z8B 0.9179
85 TMC 0.9171
86 AHU 0.9165
87 FM1 0.9164
88 2FD 0.9153
89 4GU 0.9152
90 XYS XYS 0.9148
91 BMC 0.9146
92 XDL XYP 0.9139
93 3L1 0.9138
94 TO1 0.9132
95 ACE TRP 0.9131
96 AOC 0.9127
97 2QU 0.9116
98 XTS 0.9111
99 KF5 0.9104
100 7CI 0.9094
101 X2M 0.9093
102 RVD 0.9085
103 XYP XIF 0.9080
104 TRP 0.9079
105 9UL 0.9078
106 NWQ 0.9072
107 XYS AZI XYS 0.9064
108 XIF XYP 0.9064
109 QQY 0.9064
110 EAT 0.9059
111 ZYV 0.9059
112 AVX 0.9045
113 THU 0.9045
114 EXX 0.9041
115 NXB 0.9040
116 XEV 0.9033
117 92O 0.9028
118 TIA 0.9026
119 CDY 0.9023
120 ACK 0.9022
121 P2L 0.9010
122 1Q4 0.9003
123 TJM 0.8999
124 GPK 0.8995
125 1ZC 0.8995
126 VCE 0.8990
127 ZEB 0.8988
128 DK4 0.8986
129 15Q 0.8981
130 0SY 0.8978
131 9CE 0.8977
132 BBY 0.8973
133 NEC 0.8972
134 NEO 0.8972
135 CMP 0.8967
136 2GD 0.8966
137 3RP 0.8966
138 DBS 0.8963
139 HBI 0.8963
140 RBV 0.8962
141 ZIQ 0.8960
142 Z15 0.8955
143 C4E 0.8954
144 0GA 0.8952
145 LVY 0.8944
146 A3N 0.8942
147 SGV 0.8940
148 DTE 0.8937
149 EF2 0.8934
150 0OK 0.8932
151 QQX 0.8932
152 GA2 0.8927
153 AGV 0.8924
154 1KN 0.8923
155 XYP XYS 0.8920
156 5AE 0.8920
157 Z17 0.8919
158 JSX 0.8917
159 GPQ 0.8914
160 DTR 0.8913
161 TR7 0.8909
162 H4B 0.8909
163 A4V 0.8909
164 NQ7 0.8907
165 96Z 0.8906
166 8DA 0.8905
167 B5A 0.8904
168 JMQ 0.8903
169 LOX XYP 0.8902
170 NNR 0.8902
171 KWB 0.8901
172 VBC 0.8900
173 F4U 0.8899
174 SGP 0.8897
175 PE2 0.8891
176 GPU 0.8890
177 RVB 0.8887
178 EXG 0.8886
179 5E5 0.8885
180 2P3 0.8885
181 5JT 0.8885
182 F40 0.8884
183 Z57 0.8884
184 QME 0.8882
185 RVC 0.8881
186 K80 0.8880
187 5V7 0.8872
188 Q4G 0.8872
189 C2M 0.8872
190 3D8 0.8870
191 S1D 0.8870
192 CTE 0.8868
193 WCU 0.8866
194 AJ4 0.8864
195 XYP AHR 0.8860
196 II4 0.8858
197 ITW 0.8858
198 OUA 0.8854
199 4K2 0.8853
200 0J4 0.8852
201 Q2S 0.8850
202 IMK 0.8845
203 PZ8 0.8845
204 DXK 0.8844
205 TVZ 0.8844
206 22L 0.8840
207 TGW 0.8840
208 1SF 0.8836
209 Y70 0.8836
210 H2B 0.8829
211 092 0.8829
212 6J3 0.8828
213 3IP 0.8824
214 NE1 0.8823
215 MBY 0.8819
216 ETV 0.8815
217 KP2 0.8814
218 NIR 0.8813
219 0QV 0.8813
220 ID8 0.8812
221 GFE 0.8810
222 AOJ 0.8809
223 0J2 0.8809
224 JOB 0.8808
225 EXR 0.8806
226 1FL 0.8803
227 FWD 0.8803
228 7G1 0.8797
229 BZM 0.8797
230 C0H 0.8796
231 LU2 0.8794
232 3WN 0.8786
233 3WO 0.8786
234 78U 0.8783
235 TIZ 0.8782
236 CJB 0.8781
237 MPU 0.8781
238 A4G 0.8780
239 7FZ 0.8778
240 AMP 0.8778
241 DKX 0.8777
242 SP1 0.8777
243 CWD 0.8775
244 5E4 0.8775
245 DKZ 0.8774
246 CJZ 0.8773
247 7AP 0.8772
248 M5H 0.8771
249 FY8 0.8768
250 NEU 0.8763
251 W29 0.8763
252 VJJ 0.8760
253 G30 0.8760
254 M02 0.8759
255 KW7 0.8756
256 U4J 0.8751
257 JO5 0.8750
258 AV4 0.8750
259 EXL 0.8750
260 1A5 0.8749
261 S0G 0.8748
262 7L4 0.8746
263 A4N 0.8745
264 BIO 0.8745
265 6EL 0.8745
266 DNB 0.8744
267 JA3 0.8744
268 16Z 0.8740
269 ZSP 0.8740
270 Q9T 0.8737
271 M77 0.8737
272 DIH 0.8735
273 4AB 0.8734
274 Z16 0.8733
275 4OG 0.8732
276 IXG 0.8730
277 M0N 0.8728
278 H75 0.8728
279 AWE 0.8728
280 EZN 0.8726
281 FCW 0.8725
282 4L2 0.8718
283 0FR 0.8717
284 SY4 0.8716
285 JGB 0.8716
286 LJ4 0.8715
287 NIY 0.8713
288 7EH 0.8710
289 TI7 0.8708
290 XYP XIM 0.8708
291 LMS 0.8705
292 AGI 0.8704
293 DFL 0.8702
294 2DL 0.8700
295 GF7 0.8695
296 WVV 0.8693
297 PIR 0.8688
298 JF8 0.8688
299 MIL 0.8683
300 MFR 0.8682
301 EV2 0.8680
302 IMP 0.8679
303 3WK 0.8675
304 C0Y 0.8674
305 CQW 0.8674
306 X48 0.8673
307 BHS 0.8672
308 N5O 0.8670
309 5NN 0.8669
310 0HY 0.8668
311 0ON 0.8667
312 D64 0.8666
313 B21 0.8665
314 42R 0.8663
315 2GE 0.8662
316 ZJB 0.8660
317 W23 0.8658
318 QKU 0.8658
319 AZZ 0.8657
320 G14 0.8656
321 2GQ 0.8654
322 X29 0.8654
323 L3L 0.8654
324 9B3 0.8652
325 5BX 0.8651
326 2LT 0.8650
327 9FH 0.8650
328 HVE 0.8650
329 LL1 0.8646
330 P4L 0.8646
331 BWD 0.8645
332 FT6 0.8644
333 MXD 0.8643
334 8D6 0.8640
335 5GP 0.8639
336 DS8 0.8638
337 IM4 0.8637
338 3QI 0.8636
339 FYR 0.8633
340 ISX 0.8630
341 4E5 0.8629
342 51Y 0.8629
343 363 0.8627
344 GLC BGC 0.8626
345 3TC 0.8624
346 64I 0.8624
347 35G 0.8622
348 RE4 0.8621
349 H70 0.8619
350 2L2 0.8612
351 6ZW 0.8611
352 5P7 0.8609
353 EAJ 0.8608
354 26C 0.8608
355 6U5 0.8606
356 KUP 0.8604
357 3AK 0.8602
358 FCD 0.8602
359 LTN 0.8600
360 14Z 0.8598
361 848 0.8598
362 IWD 0.8595
363 7CH 0.8594
364 88R 0.8594
365 STZ 0.8593
366 TCL 0.8587
367 CU8 0.8584
368 I0D 0.8582
369 KYN 0.8582
370 78P 0.8581
371 CUH 0.8577
372 5SJ 0.8576
373 17C 0.8575
374 RNK 0.8568
375 UX0 0.8567
376 GEN 0.8562
377 MUK 0.8562
378 FMQ 0.8560
379 H35 0.8556
380 9PP 0.8556
381 3WJ 0.8555
382 38E 0.8552
383 BC3 0.8552
384 NAR 0.8541
385 PBQ 0.8537
386 22T 0.8524
387 4NR 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V7T; Ligand: SAH; 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: 2v7t.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V7T; Ligand: SAH; 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: 2v7t.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2V7T; Ligand: SAH; 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: 2v7t.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2V7T; Ligand: SAH; 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: 2v7t.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2V7T; Ligand: SAH; 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: 2v7t.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2V7T; Ligand: SAH; 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: 2v7t.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
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