Receptor
PDB id Resolution Class Description Source Keywords
3GB4 2.05 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE WITH NON-HEME COB DICAMBA STENOTROPHOMONAS MALTOPHILIA RIESKE NON-HEME IRON OXYGENASE ELECTRON TRANSPORT OXIDORED2FE-2S IRON IRON-SULFUR METAL-BINDING
Ref.: DICAMBA MONOOXYGENASE: STRUCTURAL INSIGHTS INTO A D RIESKE OXYGENASE THAT CATALYZES AN EXOCYCLIC MONOOXYGENATION. J.MOL.BIOL. V. 392 481 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:502;
A:602;
B:502;
B:602;
B:603;
C:502;
C:602;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
D3M A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
221.037 C8 H6 Cl2 O3 COc1c...
FES A:501;
B:501;
C:501;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GL0 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE BOUND TO 3,6 DICHLOROSALICYLIC ACID (DCSA) STENOTROPHOMONAS MALTOPHILIA RIESKE PROTEIN NON-HEME MONONUCLEAR IRON OXYGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE: A RIESKE NONHEME OXYGENASE THAT CATALYZES OXIDATIVE DEMETHYLATION. J.MOL.BIOL. V. 392 498 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3GL2 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
2 3GOB - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
3 3GL0 - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
4 3GB4 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
5 3GTS - D3M C8 H6 Cl2 O3 COc1c(ccc(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3GL2 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
2 3GOB - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
3 3GL0 - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
4 3GB4 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
5 3GTS - D3M C8 H6 Cl2 O3 COc1c(ccc(....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3GL2 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
2 3GOB - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
3 3GL0 - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
4 3GB4 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
5 3GTS - D3M C8 H6 Cl2 O3 COc1c(ccc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: D3M; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 D3M 1 1
2 HXX 0.447368 0.827586
Similar Ligands (3D)
Ligand no: 1; Ligand: D3M; Similar ligands found: 438
No: Ligand Similarity coefficient
1 06B 0.9717
2 G5V 0.9616
3 6M1 0.9459
4 6F0 0.9414
5 GRE 0.9410
6 GCS 0.9324
7 3M0 0.9322
8 BNT 0.9299
9 3F0 0.9299
10 3HA 0.9295
11 FE DB1 0.9289
12 DBH 0.9289
13 1U6 0.9285
14 PXM 0.9281
15 PXL 0.9281
16 TTY 0.9279
17 UEG 0.9278
18 BGC 0.9260
19 G3F 0.9243
20 5WY 0.9234
21 KFH 0.9224
22 XYP 0.9219
23 3FH 0.9218
24 FBT 0.9212
25 GOG 0.9211
26 SJ5 0.9210
27 GT0 0.9198
28 KJY 0.9185
29 PFB 0.9174
30 DFB 0.9173
31 3MG 0.9167
32 GOX 0.9166
33 IFM 0.9166
34 3GQ 0.9156
35 GLC 0.9152
36 5WX 0.9148
37 Q6T 0.9146
38 2ZV 0.9129
39 LGC 0.9128
40 LXC 0.9126
41 AZF 0.9124
42 3IT 0.9122
43 AKH 0.9111
44 LSA 0.9102
45 DBJ 0.9101
46 8S0 0.9094
47 GAL 0.9089
48 BDP 0.9088
49 NTM 0.9082
50 YSO 0.9079
51 4AA 0.9078
52 NOJ 0.9074
53 OXZ 0.9073
54 CTS 0.9072
55 3WA 0.9070
56 ZB1 0.9069
57 G2F 0.9064
58 B0D 0.9057
59 YQA 0.9054
60 K5W 0.9054
61 948 0.9053
62 6KX 0.9053
63 42C 0.9046
64 7VJ 0.9045
65 KLW 0.9044
66 SHG 0.9043
67 PHT 0.9034
68 37T 0.9034
69 3DM 0.9033
70 F81 0.9031
71 2ZQ 0.9027
72 5MK 0.9022
73 25W 0.9014
74 QAT 0.9012
75 39A 0.9006
76 5M0 0.9005
77 SX1 0.9004
78 EXO 0.9001
79 0W8 0.9001
80 9TZ 0.9000
81 54G 0.8997
82 GJS 0.8995
83 GM7 0.8995
84 X05 0.8991
85 B53 0.8991
86 IFL 0.8991
87 GCB 0.8990
88 5RG 0.8989
89 G6D 0.8988
90 MMA 0.8988
91 GTQ 0.8986
92 HJP 0.8986
93 GCU 0.8985
94 TEP 0.8985
95 MAN 0.8982
96 EVA 0.8981
97 CN0 0.8978
98 GCW 0.8976
99 3C2 0.8970
100 3SK 0.8970
101 260 0.8958
102 INS 0.8957
103 GYP 0.8956
104 2MN 0.8956
105 MVL 0.8955
106 DIE 0.8955
107 B57 0.8955
108 IPZ 0.8954
109 HNQ 0.8954
110 FCA 0.8953
111 2CL 0.8952
112 7VS 0.8949
113 L7T 0.8948
114 KBG 0.8946
115 GLF 0.8944
116 XXR 0.8943
117 GCV 0.8936
118 94B 0.8935
119 GIM 0.8934
120 UQ 0.8933
121 NOY 0.8932
122 PRF 0.8928
123 XYS 0.8925
124 AMG 0.8925
125 2H5 0.8919
126 BE2 0.8918
127 JKE 0.8918
128 GSY 0.8917
129 4SV 0.8916
130 23A 0.8916
131 KP6 0.8916
132 EJZ 0.8915
133 LCN 0.8915
134 HLZ 0.8913
135 HTP 0.8913
136 HHA 0.8910
137 F1A 0.8907
138 IP0 0.8905
139 82I 0.8904
140 1WD 0.8904
141 8XQ 0.8902
142 NTZ 0.8901
143 FOT 0.8898
144 ISE 0.8898
145 RHU 0.8896
146 NDM 0.8893
147 3C1 0.8892
148 2KA 0.8892
149 GAF 0.8890
150 FB1 0.8889
151 IJZ 0.8889
152 SAL 0.8889
153 SOE 0.8888
154 3U4 0.8886
155 3RK 0.8886
156 680 0.8883
157 LYL 0.8882
158 6M4 0.8877
159 PA1 0.8872
160 JBQ 0.8872
161 AFR 0.8870
162 M3S 0.8870
163 SWA 0.8870
164 7WV 0.8869
165 EYK 0.8867
166 1GN 0.8867
167 MHK 0.8866
168 ES6 0.8865
169 ASO 0.8864
170 VNJ 0.8862
171 2FG 0.8861
172 JBK 0.8861
173 M1H 0.8858
174 GOO 0.8857
175 FBV 0.8856
176 P3K 0.8856
177 KYD 0.8854
178 KIB 0.8854
179 KIA 0.8854
180 INE 0.8853
181 FSW 0.8852
182 C2U 0.8851
183 VK3 0.8851
184 GLA 0.8851
185 DQN 0.8849
186 AEZ 0.8849
187 FBG 0.8847
188 NQ 0.8847
189 SRO 0.8845
190 KGK 0.8845
191 JUG 0.8844
192 MA3 0.8841
193 RAM 0.8840
194 BMA 0.8840
195 OA3 0.8837
196 EQT 0.8832
197 7ZE 0.8832
198 DBX 0.8830
199 KBB 0.8829
200 GIO 0.8828
201 SVD 0.8826
202 MWP 0.8825
203 WOO 0.8822
204 091 0.8822
205 I1N 0.8821
206 AHR 0.8821
207 FA0 0.8820
208 293 0.8820
209 HKD 0.8819
210 0P6 0.8818
211 M2K 0.8817
212 ZVO 0.8815
213 7W1 0.8814
214 MFU 0.8811
215 DOB 0.8811
216 PFL 0.8810
217 G1O 0.8810
218 SKA 0.8809
219 ALL 0.8809
220 A65 0.8808
221 24W 0.8807
222 IPB 0.8807
223 4M0 0.8807
224 ARB 0.8805
225 PYQ 0.8801
226 ICO 0.8801
227 23J 0.8800
228 DIU 0.8800
229 7NI 0.8795
230 F5B 0.8795
231 5NE 0.8795
232 5DI 0.8794
233 5CU 0.8793
234 5QX 0.8788
235 X09 0.8787
236 CFF 0.8785
237 KJH 0.8783
238 67N 0.8782
239 7B3 0.8782
240 RNS 0.8781
241 FLV 0.8780
242 9PY 0.8779
243 TTL 0.8779
244 FUC 0.8778
245 K17 0.8778
246 5NS 0.8776
247 RM4 0.8775
248 E7Z 0.8775
249 BBF 0.8775
250 12Q 0.8774
251 1LQ 0.8774
252 12B 0.8773
253 8GK 0.8773
254 ASC 0.8772
255 HQT 0.8770
256 SXS 0.8770
257 RXR 0.8768
258 IBF 0.8767
259 92K 0.8767
260 I3A 0.8764
261 5RN 0.8763
262 GXL 0.8762
263 Q7A 0.8761
264 IV2 0.8760
265 FDB 0.8760
266 HQY 0.8758
267 TAG 0.8758
268 RPQ 0.8756
269 T9G 0.8756
270 TLA 0.8755
271 ADK 0.8755
272 NID 0.8753
273 PX7 0.8752
274 BDF 0.8748
275 9BZ 0.8747
276 M1A 0.8746
277 5Q0 0.8744
278 MT5 0.8743
279 0MK 0.8741
280 1LM 0.8740
281 ENL 0.8739
282 MNM 0.8737
283 MIG 0.8737
284 GTL 0.8737
285 HZQ 0.8737
286 A7W 0.8737
287 5CL 0.8735
288 3MA 0.8733
289 FUF 0.8732
290 1NP 0.8731
291 JKZ 0.8731
292 9MG 0.8730
293 N8P 0.8729
294 GLT 0.8727
295 6HQ 0.8727
296 DMJ 0.8725
297 FRU 0.8724
298 ES1 0.8724
299 DHQ 0.8722
300 YTB 0.8722
301 RXA 0.8719
302 JPZ 0.8719
303 HPA 0.8717
304 32X 0.8716
305 MBG 0.8715
306 4YS 0.8715
307 TOF 0.8714
308 7B4 0.8713
309 5SG 0.8713
310 64K 0.8710
311 7HP 0.8708
312 ARA 0.8705
313 ADE 0.8704
314 ADZ 0.8701
315 JXN 0.8700
316 MSN 0.8699
317 PRZ 0.8698
318 BTE 0.8698
319 N5J 0.8698
320 5IQ 0.8697
321 1SQ 0.8696
322 MZB 0.8694
323 FUL 0.8693
324 3XX 0.8692
325 O72 0.8692
326 B60 0.8692
327 MRW 0.8691
328 7HQ 0.8690
329 GMN 0.8687
330 K3Q 0.8684
331 495 0.8684
332 KKN 0.8682
333 JU2 0.8682
334 6CS 0.8680
335 PYG 0.8679
336 BRV 0.8678
337 GTR 0.8676
338 24B 0.8675
339 SYG 0.8674
340 FHN 0.8672
341 FCB 0.8668
342 3DO 0.8668
343 HFB 0.8667
344 APZ 0.8665
345 7W4 0.8663
346 0RN 0.8662
347 ISN 0.8661
348 HIO 0.8660
349 PCI 0.8660
350 226 0.8660
351 MT0 0.8660
352 MT8 0.8658
353 I3C 0.8657
354 GIV 0.8657
355 LKA 0.8657
356 PQ0 0.8656
357 PHH 0.8656
358 NVU 0.8655
359 JXZ 0.8653
360 HQD 0.8653
361 VNL 0.8653
362 MAQ 0.8652
363 DPZ 0.8648
364 8CM 0.8648
365 XAN 0.8644
366 4HM 0.8643
367 1DW 0.8636
368 18N 0.8636
369 ZXD 0.8634
370 BCF 0.8634
371 3MH 0.8633
372 M1Q 0.8630
373 RIB 0.8624
374 AZ9 0.8622
375 GYE 0.8621
376 ES7 0.8620
377 TBS 0.8620
378 9DA 0.8619
379 R8V 0.8618
380 MBD 0.8618
381 FH2 0.8617
382 3Z7 0.8616
383 LZ2 0.8614
384 7WA 0.8612
385 NEQ 0.8611
386 X6X 0.8609
387 GUN 0.8609
388 FXH 0.8608
389 2MY 0.8605
390 5WU 0.8605
391 9HX 0.8604
392 4XH 0.8603
393 4ZC 0.8602
394 9DG 0.8602
395 UNC 0.8600
396 M0Q 0.8599
397 0FN 0.8599
398 SYA 0.8599
399 NK 0.8594
400 QNA 0.8582
401 9KT 0.8580
402 CLZ 0.8580
403 AZA 0.8580
404 H6B 0.8580
405 9KH 0.8578
406 2D0 0.8578
407 EPR 0.8577
408 F05 0.8575
409 EUG 0.8571
410 F0J 0.8569
411 4NC 0.8566
412 3CE 0.8565
413 1XN 0.8564
414 286 0.8564
415 0LH 0.8559
416 3OC 0.8557
417 CFP 0.8550
418 BP1 0.8550
419 1LN 0.8550
420 AZ8 0.8548
421 6MP 0.8546
422 QIC 0.8546
423 DGJ 0.8543
424 SRT 0.8541
425 NK1 0.8540
426 51R 0.8539
427 3R9 0.8535
428 141 0.8533
429 V55 0.8533
430 IGA 0.8531
431 FPK 0.8529
432 4HC 0.8528
433 ZZT 0.8525
434 ZWZ 0.8520
435 ADA 0.8519
436 H62 0.8517
437 J9W 0.8508
438 R8A 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GL0; Ligand: HXX; 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: 3gl0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GL0; Ligand: HXX; 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: 3gl0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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