Receptor
PDB id Resolution Class Description Source Keywords
4HMU 1.56 Å EC: 1.4.-.- CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS 2-79 WITH TETRAHYDROPHENAZINE-1-CARBOXYLIC ACID AFTER 1 DAY OF S PSEUDOMONAS FLUORESCENS PHENAZINE BIOSYNTHESIS TRAPPING INTERMEDIATE OXIDOREDUCTA
Ref.: TRAPPED INTERMEDIATES IN CRYSTALS OF THE FMN-DEPEND OXIDASE PHZG PROVIDE INSIGHT INTO THE FINAL STEPS O PHENAZINE BIOSYNTHESIS ACTA CRYSTALLOGR.,SECT.D V. 69 1403 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WUB A:304;
 Valid;
 none;
 submit data
228.247 C13 H12 N2 O2 c1ccc...
FMN B:301;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 A:302;
A:303;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HMT 1.42 Å EC: 1.4.-.- CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS 2-79 WITH HEXAHYDROPHENAZINE-1,6-DICARBOXYLIC ACID PSEUDOMONAS FLUORESCENS PHENAZINE BIOSYNTHESIS TRAPPING INTERMEDIATE OXIDOREDUCTA
Ref.: TRAPPED INTERMEDIATES IN CRYSTALS OF THE FMN-DEPEND OXIDASE PHZG PROVIDE INSIGHT INTO THE FINAL STEPS O PHENAZINE BIOSYNTHESIS ACTA CRYSTALLOGR.,SECT.D V. 69 1403 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4HMS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HMV - WUB C13 H12 N2 O2 c1ccc2c(c1....
3 4HMU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1TY9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4HMT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4HMS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HMV - WUB C13 H12 N2 O2 c1ccc2c(c1....
3 4HMU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1TY9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4HMT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1T9M - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4HMS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4HMV - WUB C13 H12 N2 O2 c1ccc2c(c1....
3 4HMU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1TY9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4HMT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1T9M - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4HMX - WUB C13 H12 N2 O2 c1ccc2c(c1....
8 4HMW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: WUB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 WUB 1 1
2 NNV 0.43662 0.75
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: WUB; Similar ligands found: 408
No: Ligand Similarity coefficient
1 ANC 0.9455
2 6QF 0.9452
3 GNV 0.9433
4 2J2 0.9386
5 JP2 0.9370
6 8G6 0.9359
7 V2Z 0.9351
8 CNI 0.9322
9 KWH 0.9315
10 GNJ 0.9310
11 BZJ 0.9305
12 KW8 0.9291
13 JTA 0.9288
14 F2W 0.9256
15 DNQ 0.9249
16 5P3 0.9213
17 2JK 0.9197
18 3J8 0.9196
19 X11 0.9191
20 P9I 0.9191
21 KWQ 0.9174
22 BIK 0.9172
23 ZME 0.9153
24 GNY 0.9153
25 2LW 0.9149
26 MNX 0.9143
27 DK1 0.9141
28 982 0.9135
29 7I2 0.9131
30 GNM 0.9128
31 EV2 0.9123
32 6TJ 0.9119
33 28A 0.9117
34 344 0.9111
35 BGU 0.9110
36 HBI 0.9106
37 ELH 0.9106
38 1ZC 0.9104
39 QR2 0.9098
40 1X8 0.9087
41 YZ9 0.9085
42 HBO 0.9083
43 TCR 0.9079
44 7ZL 0.9077
45 JG8 0.9072
46 6ZW 0.9070
47 VM1 0.9067
48 774 0.9066
49 5E5 0.9065
50 GHM 0.9064
51 IL5 0.9052
52 LL1 0.9048
53 FQX 0.9046
54 9RM 0.9045
55 8HH 0.9044
56 AY4 0.9043
57 II4 0.9038
58 ITE 0.9038
59 AO6 0.9037
60 L3L 0.9035
61 BZE 0.9033
62 JWS 0.9030
63 LF5 0.9029
64 3Y7 0.9028
65 MUR 0.9027
66 HRM 0.9022
67 3C5 0.9021
68 1VK 0.9016
69 KCH 0.9015
70 R9G 0.9014
71 XM5 0.9010
72 60L 0.9005
73 78Y 0.9003
74 M02 0.9002
75 R8Y 0.8997
76 CZ0 0.8994
77 S60 0.8993
78 30G 0.8992
79 UKV 0.8990
80 9AP 0.8987
81 LDR 0.8982
82 JR2 0.8979
83 HKK 0.8979
84 5TZ 0.8974
85 DXK 0.8970
86 VKE 0.8968
87 P4L 0.8963
88 5FL 0.8962
89 DRG 0.8961
90 U7E 0.8960
91 L22 0.8960
92 0LO 0.8960
93 LUM 0.8960
94 HNA 0.8958
95 0SY 0.8957
96 DPT 0.8955
97 XQK 0.8952
98 TLF 0.8950
99 SOV 0.8950
100 5VL 0.8949
101 5F8 0.8948
102 ZRK 0.8948
103 VXX 0.8945
104 EWG 0.8945
105 27M 0.8944
106 GI1 0.8943
107 AJY 0.8943
108 ESI 0.8943
109 2D3 0.8940
110 7FF 0.8936
111 X48 0.8936
112 IQ5 0.8935
113 6NZ 0.8935
114 0F9 0.8933
115 ZYQ 0.8928
116 5F5 0.8926
117 GI3 0.8925
118 ID8 0.8924
119 692 0.8923
120 CSN 0.8922
121 BPU 0.8921
122 EVO 0.8920
123 NIR 0.8919
124 KTW 0.8918
125 MUK 0.8915
126 78P 0.8913
127 761 0.8913
128 MXD 0.8913
129 IQZ 0.8904
130 X0W 0.8901
131 I6G 0.8901
132 JY4 0.8900
133 KF5 0.8899
134 RVE 0.8897
135 9OF 0.8896
136 GZ2 0.8895
137 0XT 0.8893
138 1Z8 0.8892
139 CFK 0.8892
140 V1T 0.8888
141 C0H 0.8888
142 ZRL 0.8887
143 B21 0.8887
144 H4B 0.8880
145 1AJ 0.8879
146 49P 0.8878
147 2WU 0.8878
148 AH3 0.8877
149 HFZ 0.8874
150 BPY 0.8873
151 XFE 0.8873
152 25O 0.8871
153 8NX 0.8870
154 0FK 0.8868
155 H70 0.8868
156 A5H 0.8863
157 YE7 0.8861
158 NRA 0.8861
159 6FB 0.8861
160 77X 0.8860
161 9UG 0.8860
162 4F8 0.8859
163 2D2 0.8859
164 R20 0.8858
165 1KP 0.8857
166 9CE 0.8855
167 TR4 0.8853
168 FF2 0.8852
169 M1Z 0.8850
170 LFN 0.8849
171 9TF 0.8846
172 AA 0.8846
173 ANF 0.8845
174 N0Z 0.8844
175 TXQ 0.8843
176 CKU 0.8843
177 54X 0.8841
178 6PB 0.8840
179 4V2 0.8840
180 2GQ 0.8840
181 AN3 0.8837
182 9KZ 0.8836
183 OCZ 0.8833
184 5V7 0.8833
185 DBF 0.8831
186 S98 0.8831
187 5WT 0.8831
188 LFQ 0.8829
189 T28 0.8828
190 JRO 0.8827
191 JF8 0.8826
192 TIY 0.8825
193 DNF 0.8823
194 4GU 0.8821
195 67X 0.8817
196 QVK 0.8816
197 DX1 0.8815
198 IA2 0.8814
199 IK1 0.8813
200 LEL 0.8811
201 CKA 0.8810
202 5NN 0.8810
203 F40 0.8810
204 537 0.8810
205 H05 0.8808
206 4NO 0.8807
207 5TY 0.8806
208 U19 0.8806
209 AH9 0.8806
210 5B2 0.8806
211 QZ8 0.8806
212 ZHA 0.8803
213 AVR 0.8802
214 ONR 0.8802
215 39Z 0.8802
216 WS6 0.8800
217 RKV 0.8800
218 CTN 0.8799
219 3CA 0.8796
220 55D 0.8794
221 PRL 0.8794
222 W22 0.8793
223 PEY 0.8790
224 BIO 0.8789
225 SG2 0.8786
226 M6Z 0.8785
227 4I8 0.8778
228 CLI 0.8776
229 YTX 0.8776
230 BZQ 0.8773
231 HQJ 0.8773
232 JVQ 0.8773
233 3D8 0.8772
234 AMR 0.8772
235 K3Y 0.8769
236 NDG 0.8768
237 WS7 0.8768
238 3GX 0.8767
239 3N4 0.8767
240 AH6 0.8767
241 68A 0.8767
242 0W1 0.8763
243 TQL 0.8761
244 X0U 0.8760
245 K44 0.8760
246 LLT 0.8759
247 GO0 0.8758
248 XI7 0.8757
249 XZ8 0.8757
250 TT4 0.8754
251 LP8 0.8754
252 5VJ 0.8753
253 MOK 0.8753
254 6X9 0.8753
255 2O6 0.8750
256 OA1 0.8750
257 7ME 0.8750
258 GJK 0.8748
259 FHC 0.8747
260 DCZ 0.8745
261 FLV 0.8745
262 GF4 0.8744
263 36Z 0.8741
264 DUR 0.8740
265 TWB 0.8734
266 THA 0.8731
267 L5V 0.8731
268 4AU 0.8730
269 KLV 0.8729
270 3TC 0.8729
271 8WZ 0.8728
272 GO1 0.8728
273 EXD 0.8727
274 3L1 0.8727
275 HH6 0.8725
276 FER 0.8724
277 YE6 0.8722
278 LDC 0.8722
279 1FL 0.8722
280 43U 0.8721
281 5GT 0.8718
282 3YQ 0.8717
283 4MU 0.8716
284 CH9 0.8716
285 PIQ 0.8714
286 NAG 0.8713
287 CUT 0.8712
288 DIF 0.8711
289 9UL 0.8710
290 0FS 0.8710
291 9FL 0.8710
292 KY3 0.8709
293 N2M 0.8708
294 4FF 0.8707
295 0RY 0.8706
296 C53 0.8706
297 SQ7 0.8704
298 N88 0.8703
299 9FE 0.8703
300 CK2 0.8702
301 HC8 0.8700
302 F95 0.8698
303 OSB 0.8695
304 R6T 0.8695
305 5E1 0.8694
306 3QV 0.8693
307 SYR 0.8692
308 19E 0.8691
309 M5N 0.8691
310 3D1 0.8691
311 TIA 0.8689
312 TQU 0.8687
313 8W9 0.8685
314 LWS 0.8683
315 1IT 0.8683
316 IDZ 0.8680
317 HHS 0.8680
318 CB1 0.8680
319 HMD 0.8677
320 64E 0.8675
321 363 0.8675
322 K66 0.8674
323 SQP 0.8674
324 5E4 0.8672
325 A73 0.8672
326 N7I 0.8671
327 ADN 0.8671
328 2PW 0.8670
329 LR2 0.8664
330 G12 0.8662
331 GC2 0.8660
332 NU3 0.8660
333 VAO 0.8660
334 28N 0.8659
335 15N 0.8659
336 ZIQ 0.8656
337 226 0.8656
338 64C 0.8655
339 NBG 0.8654
340 AGI 0.8653
341 QMS 0.8653
342 20D 0.8650
343 39O 0.8649
344 34L 0.8648
345 6HO 0.8645
346 TXW 0.8644
347 XYS XYP 0.8644
348 CDJ 0.8639
349 THM 0.8638
350 NGO 0.8638
351 TRP 0.8637
352 6KT 0.8636
353 AC2 0.8636
354 7MX 0.8634
355 1HN 0.8633
356 YEX 0.8633
357 M5H 0.8631
358 2NJ 0.8629
359 MNY 0.8628
360 FXH 0.8628
361 ZSP 0.8627
362 SQM 0.8627
363 HRD 0.8626
364 ZYV 0.8626
365 1V1 0.8624
366 2UZ 0.8622
367 PF1 0.8617
368 GJP 0.8617
369 WLH 0.8615
370 PH2 0.8615
371 MMJ 0.8613
372 2UD 0.8612
373 KMP 0.8609
374 4G2 0.8608
375 EN1 0.8606
376 D3G 0.8604
377 TWO 0.8604
378 H35 0.8604
379 43S 0.8602
380 XEZ 0.8601
381 VT3 0.8601
382 DFL 0.8600
383 DX7 0.8599
384 GSY 0.8592
385 25F 0.8590
386 9ZE 0.8588
387 MS0 0.8584
388 52B 0.8582
389 XCG 0.8582
390 IPD 0.8580
391 2K8 0.8577
392 SU9 0.8575
393 GVI 0.8574
394 1QP 0.8572
395 UFO 0.8567
396 JYT 0.8566
397 JXK 0.8559
398 SZ5 0.8556
399 3F4 0.8554
400 HFT 0.8552
401 ALR 0.8550
402 8RK 0.8548
403 12T 0.8548
404 BOQ 0.8547
405 KYN 0.8543
406 GNR 0.8541
407 E1K 0.8534
408 BGP 0.8518
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 : 4HMT; Ligand: NNV; 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: 4hmt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HMT; Ligand: FMN; 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: 4hmt.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4HMT; Ligand: FMN; 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: 4hmt.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4HMT; Ligand: NNV; 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: 4hmt.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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