Receptor
PDB id Resolution Class Description Source Keywords
2QQD 2 Å EC: 4.1.1.19 N47A MUTANT OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASHII METHANOCALDOCOCCUS JANNASCHII ARGININE DECARBOXYLASE PYRUVOYL DECARBOXYLATION AUTOPROCESSING SERINOLYSIS LYASE PYRUVATE
Ref.: STRUCTURES OF THE N47A AND E109Q MUTANT PROTEINS OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII. ACTA CRYSTALLOGR.,SECT.D V. 64 377 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AG2 A:671;
B:671;
Valid;
Valid;
none;
none;
submit data
130.191 C5 H14 N4 C(CCN...
MPD C:700;
D:700;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
PYR B:53;
E:53;
Part of Protein;
Part of Protein;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QQD 2 Å EC: 4.1.1.19 N47A MUTANT OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASHII METHANOCALDOCOCCUS JANNASCHII ARGININE DECARBOXYLASE PYRUVOYL DECARBOXYLATION AUTOPROCESSING SERINOLYSIS LYASE PYRUVATE
Ref.: STRUCTURES OF THE N47A AND E109Q MUTANT PROTEINS OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII. ACTA CRYSTALLOGR.,SECT.D V. 64 377 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2QQD - AG2 C5 H14 N4 C(CCNC(=N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2QQD - AG2 C5 H14 N4 C(CCNC(=N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QQD - AG2 C5 H14 N4 C(CCNC(=N)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AG2; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 AG2 1 1
2 GZZ 0.5 0.862069
3 U4G 0.484848 0.78125
4 GVA 0.470588 0.78125
5 JX7 0.416667 0.666667
6 IAR 0.416667 0.727273
7 HRG 0.410256 0.757576
8 19N 0.4 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: AG2; Similar ligands found: 487
No: Ligand Similarity coefficient
1 MHN 1.0000
2 KQY 1.0000
3 ACA 0.9946
4 SHV 0.9940
5 HPN 0.9931
6 N6C 0.9822
7 AE3 0.9778
8 HZP 0.9777
9 7C3 0.9747
10 98J 0.9696
11 LYN 0.9693
12 OYA 0.9688
13 OCT 0.9650
14 DLY 0.9647
15 LYS 0.9647
16 MLZ 0.9624
17 650 0.9618
18 011 0.9613
19 OC9 0.9602
20 VKC 0.9602
21 HE4 0.9601
22 OCA 0.9590
23 PG0 0.9584
24 16D 0.9566
25 5XA 0.9563
26 NLE 0.9558
27 BHH 0.9555
28 SLZ 0.9546
29 0L1 0.9535
30 PG3 0.9535
31 9J3 0.9525
32 BHL BHL 0.9513
33 BHL 0.9513
34 GLU 0.9512
35 6NA 0.9511
36 HTX 0.9504
37 2CO 0.9504
38 3OL 0.9483
39 NF3 0.9469
40 ONH 0.9451
41 NSD 0.9448
42 0VT 0.9442
43 ORN 0.9441
44 OEG 0.9441
45 GUA 0.9441
46 AKG 0.9439
47 6XA 0.9436
48 B3M 0.9422
49 DAV 0.9419
50 7BC 0.9408
51 3OM 0.9408
52 49F 0.9406
53 AHN 0.9390
54 GLY GLY 0.9389
55 ENW 0.9382
56 URP 0.9369
57 NTU 0.9369
58 SIN 0.9353
59 SHO 0.9351
60 MLT 0.9346
61 OAA 0.9341
62 7OD 0.9340
63 SKJ 0.9340
64 M1T 0.9336
65 MET 0.9324
66 ENV 0.9315
67 4TB 0.9300
68 IXW 0.9295
69 OGA 0.9286
70 KMT 0.9279
71 OOG 0.9278
72 GRQ 0.9278
73 6JN 0.9277
74 URQ 0.9276
75 PBN 0.9274
76 3S5 0.9270
77 DGN 0.9267
78 ASP 0.9262
79 TEG 0.9262
80 1KA 0.9262
81 3H2 0.9260
82 HOC 0.9256
83 8EW 0.9255
84 MEQ 0.9254
85 HE2 0.9254
86 266 0.9242
87 KMH 0.9241
88 Q9Z 0.9241
89 DQY 0.9238
90 DZA 0.9237
91 7UC 0.9223
92 9YT 0.9222
93 3HG 0.9221
94 YIV 0.9221
95 GOJ 0.9218
96 LNO 0.9213
97 O45 0.9213
98 GLN 0.9212
99 GPJ 0.9211
100 O8Y 0.9208
101 EOU 0.9205
102 CCU 0.9199
103 CCE 0.9198
104 ARG 0.9195
105 NWH 0.9192
106 ODI 0.9192
107 HSO 0.9192
108 NMH 0.9190
109 XLS 0.9188
110 2IT 0.9187
111 SSB 0.9183
112 TAR 0.9182
113 HL5 0.9181
114 MPJ 0.9181
115 64Z 0.9181
116 GPF 0.9180
117 MED 0.9179
118 DHM 0.9177
119 MSE 0.9177
120 ASN 0.9176
121 8SZ 0.9173
122 HP6 0.9172
123 S8V 0.9170
124 TLA 0.9168
125 RJY 0.9166
126 BNF 0.9163
127 3YP 0.9162
128 DHI 0.9162
129 DGL 0.9161
130 FOM 0.9160
131 1GP 0.9158
132 KPC 0.9154
133 AL0 0.9153
134 LUQ 0.9152
135 UN1 0.9148
136 PML 0.9147
137 268 0.9143
138 11C 0.9143
139 4LR 0.9142
140 URO 0.9140
141 OKG 0.9128
142 S2G 0.9125
143 2HG 0.9121
144 VAL 0.9120
145 258 0.9119
146 I38 0.9119
147 CHH 0.9113
148 LT1 0.9112
149 FUM 0.9110
150 1HS 0.9109
151 ZGL 0.9108
152 9X6 0.9104
153 DAR 0.9103
154 N4B 0.9102
155 ONL 0.9100
156 2FM 0.9098
157 PRA 0.9098
158 LEU 0.9097
159 152 0.9096
160 5FX 0.9091
161 SME 0.9089
162 BHU 0.9084
163 SD4 0.9083
164 MHO 0.9082
165 LTL 0.9079
166 G3H 0.9078
167 MEV 0.9076
168 DE5 0.9074
169 SHF 0.9073
170 R9M 0.9073
171 LMR 0.9070
172 AJ3 0.9069
173 XYL 0.9069
174 IP8 0.9068
175 HPL 0.9067
176 CCD 0.9063
177 NVA 0.9063
178 13P 0.9063
179 CUW 0.9063
180 GGL 0.9062
181 4MV 0.9062
182 DIR 0.9059
183 MAE 0.9058
184 SPD 0.9058
185 K6V 0.9052
186 HCS 0.9051
187 AT3 0.9047
188 HGA 0.9046
189 XUL 0.9044
190 SRT 0.9042
191 9ON 0.9029
192 GVM 0.9028
193 KDG 0.9027
194 9GB 0.9023
195 COI 0.9023
196 PBA 0.9020
197 NYL 0.9020
198 264 0.9020
199 PGH 0.9018
200 FK8 0.9017
201 G3P 0.9014
202 J0Z 0.9012
203 HIS 0.9012
204 QFJ 0.9010
205 PCA 0.9005
206 HYA 0.9003
207 TIU 0.9002
208 DIA 0.9001
209 DAB 0.8999
210 HBU 0.8999
211 A8C 0.8998
212 GP9 0.8997
213 RTK 0.8995
214 HSE 0.8995
215 7XA 0.8992
216 SOL 0.8992
217 HX2 0.8988
218 X1R 0.8985
219 PGA 0.8985
220 TCA 0.8984
221 269 0.8983
222 NM2 0.8982
223 AHB 0.8978
224 DLT 0.8978
225 B40 0.8975
226 NM3 0.8974
227 3PG 0.8973
228 H95 0.8973
229 3SS 0.8973
230 CMS 0.8973
231 1CO 0.8969
232 8AC 0.8967
233 ITN 0.8967
234 4SD 0.8962
235 GLY GLY GLY 0.8962
236 EHM 0.8961
237 RB5 0.8960
238 D10 0.8957
239 HHI 0.8957
240 THE 0.8955
241 FOC 0.8954
242 BPW 0.8953
243 HPO 0.8951
244 HMS 0.8948
245 CYX 0.8948
246 MPH 0.8948
247 PHE 0.8947
248 3GZ 0.8943
249 TEO 0.8943
250 SEP 0.8940
251 MTL 0.8939
252 KNA 0.8938
253 NLP 0.8938
254 ALA ALA 0.8937
255 ACH 0.8937
256 MLY 0.8936
257 PEP 0.8936
258 PRO GLY 0.8932
259 J9N 0.8932
260 CXP 0.8925
261 N9J 0.8925
262 FXY 0.8924
263 PEA 0.8924
264 HYP 0.8922
265 HC4 0.8915
266 P22 0.8914
267 RBL 0.8911
268 SOR 0.8911
269 YPN 0.8910
270 3QM 0.8907
271 NNH 0.8907
272 2AS 0.8907
273 HSM 0.8907
274 OSE 0.8903
275 AEF 0.8903
276 9X7 0.8903
277 MAH 0.8899
278 K7M 0.8896
279 GGB 0.8895
280 1X4 0.8894
281 MNN 0.8894
282 HCI 0.8893
283 TIH 0.8891
284 QDK 0.8891
285 DII 0.8890
286 XIZ 0.8890
287 DKA 0.8889
288 CLT 0.8889
289 492 0.8889
290 3LR 0.8888
291 CSS 0.8886
292 PC 0.8881
293 PPR 0.8876
294 DAL DAL 0.8875
295 1DJ 0.8873
296 SYM 0.8872
297 OTR 0.8871
298 MXN 0.8870
299 2RH 0.8868
300 PPY 0.8865
301 OHJ 0.8864
302 TYL 0.8864
303 ILO 0.8862
304 PAH 0.8861
305 E79 0.8860
306 UGC 0.8857
307 2FT 0.8857
308 LEA 0.8854
309 IWT 0.8852
310 RNS 0.8848
311 FQI 0.8847
312 SSN 0.8846
313 DHR 0.8846
314 SPA 0.8845
315 PO6 0.8845
316 SPV 0.8840
317 GLY ALA 0.8839
318 M44 0.8837
319 FAN 0.8837
320 BUB 0.8831
321 M45 0.8828
322 MUC 0.8827
323 HDA 0.8827
324 ILE 0.8826
325 PLU 0.8825
326 FUD 0.8824
327 5XC 0.8824
328 1H1 0.8823
329 MSL 0.8822
330 5XB 0.8822
331 LPA 0.8821
332 DAS 0.8818
333 N8C 0.8817
334 ROR 0.8816
335 4FA 0.8815
336 Q07 0.8814
337 7WG 0.8813
338 MES 0.8812
339 TYE 0.8812
340 GLO 0.8812
341 8GL 0.8810
342 HL4 0.8810
343 DPF 0.8808
344 HDH 0.8806
345 RUJ 0.8804
346 NMG 0.8804
347 XRG 0.8802
348 LVD 0.8800
349 NPI 0.8796
350 OK7 0.8796
351 F4E 0.8796
352 QY9 0.8794
353 ABU 0.8794
354 R67 0.8793
355 FBJ 0.8793
356 HY1 0.8789
357 1SA 0.8787
358 TZL 0.8786
359 E4P 0.8785
360 PEL 0.8785
361 LDP 0.8783
362 HFA 0.8781
363 JYD 0.8778
364 1N5 0.8774
365 58X 0.8765
366 263 0.8762
367 GJZ 0.8761
368 SSC 0.8761
369 M6H 0.8761
370 P81 0.8760
371 CIR 0.8759
372 AMH 0.8758
373 2JJ 0.8758
374 129 0.8757
375 EXY 0.8753
376 DYT 0.8751
377 YRL 0.8746
378 ZBT 0.8745
379 X1S 0.8742
380 PAC 0.8742
381 PKU 0.8739
382 4HP 0.8739
383 DCL 0.8738
384 XBT 0.8738
385 I1E 0.8737
386 XOG 0.8737
387 42J 0.8737
388 4LW 0.8736
389 PH3 0.8735
390 P80 0.8735
391 NFA 0.8734
392 AEG 0.8734
393 3HP 0.8733
394 M75 0.8731
395 1BN 0.8731
396 HPV 0.8731
397 MF3 0.8730
398 7MW 0.8728
399 MZT 0.8727
400 I2M 0.8727
401 M3P 0.8726
402 LER 0.8722
403 NXA 0.8721
404 RA7 0.8720
405 HG3 0.8717
406 3PP 0.8716
407 DPN 0.8711
408 K34 0.8710
409 TPA 0.8708
410 CFI 0.8708
411 AOS 0.8707
412 A3M 0.8707
413 M6W 0.8706
414 3MB 0.8700
415 RNT 0.8698
416 1L5 0.8698
417 54D 0.8697
418 FEH 0.8695
419 9J6 0.8693
420 BHO 0.8693
421 M4T 0.8691
422 TYR 0.8689
423 LSQ 0.8688
424 ISZ 0.8683
425 271 0.8681
426 NSB 0.8676
427 4BZ 0.8672
428 PNZ 0.8669
429 1SP 0.8666
430 S0W 0.8664
431 F9P 0.8662
432 CXF 0.8662
433 NIZ 0.8662
434 R20 0.8662
435 IHG 0.8660
436 RNO 0.8657
437 ANN 0.8656
438 GLL 0.8655
439 0NX 0.8654
440 HF2 0.8650
441 HIC 0.8646
442 14J 0.8639
443 41K 0.8639
444 3SL 0.8635
445 KTA 0.8635
446 GZ3 0.8634
447 HQJ 0.8634
448 JZ7 0.8633
449 PHU 0.8632
450 7VP 0.8632
451 D3G 0.8632
452 7O4 0.8628
453 795 0.8628
454 PDC 0.8628
455 CEE 0.8625
456 3BU 0.8624
457 SNO 0.8622
458 SGL 0.8615
459 1DU 0.8608
460 J9T 0.8607
461 IPU 0.8607
462 4LV 0.8604
463 FW5 0.8603
464 1PS 0.8602
465 AOT 0.8602
466 HX4 0.8600
467 FBM 0.8597
468 BPN 0.8596
469 2BX 0.8589
470 HPP 0.8589
471 LNR 0.8586
472 API 0.8584
473 TAG 0.8577
474 I4B 0.8575
475 OPE 0.8572
476 5OB 0.8566
477 MVH 0.8562
478 OVM 0.8560
479 E5X 0.8555
480 AZM 0.8554
481 DXP 0.8551
482 4NM 0.8550
483 7A8 0.8549
484 DHY 0.8549
485 BZ3 0.8541
486 PIM 0.8532
487 4TP 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QQD; Ligand: AG2; 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: 2qqd.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2QQD; Ligand: AG2; 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: 2qqd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback