Receptor
PDB id Resolution Class Description Source Keywords
4ZEI 2.3 Å NON-ENZYME: TRANSPORT PBP ACCA FROM A. TUMEFACIENS C58 IN COMPLEX WITH L-ARABINOSE PHOSPHATE AGROBACTERIUM TUMEFACIENS PBP CLASS C TRANSPORT PROTEIN
Ref.: A PYRANOSE-2-PHOSPHATE MOTIF IS RESPONSIBLE FOR BOT ANTIBIOTIC IMPORT AND QUORUM-SENSING REGULATION IN AGROBACTERIUM TUMEFACIENS. PLOS PATHOG. V. 11 05071 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LAO A:601;
Valid;
none;
Kd = 1.33 uM
230.11 C5 H11 O8 P C1[C@...
EDO A:606;
A:605;
A:604;
A:602;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RA1 1.75 Å NON-ENZYME: TRANSPORT PBP ACCA FROM A. TUMEFACIENS C58 IN COMPLEX WITH D-GLUCOSE-2 AGROBACTERIUM TUMEFACIENS PERIPLASMIC BINDING PROTEIN C CLUSTER TRANSPORT PROTEIN
Ref.: A PYRANOSE-2-PHOSPHATE MOTIF IS RESPONSIBLE FOR BOT ANTIBIOTIC IMPORT AND QUORUM-SENSING REGULATION IN AGROBACTERIUM TUMEFACIENS. PLOS PATHOG. V. 11 05071 2015
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.33 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 0.43 uM BNX C6 H13 O9 P C([C@@H]1[....
5 6I7W Kd = 2 uM H6Z C9 H19 O11 P C[C@@H](C(....
6 4ZEB - ARA TT7 4GL n/a n/a
7 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.33 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 0.43 uM BNX C6 H13 O9 P C([C@@H]1[....
5 6I7W Kd = 2 uM H6Z C9 H19 O11 P C[C@@H](C(....
6 4ZEB - ARA TT7 4GL n/a n/a
7 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.33 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 0.43 uM BNX C6 H13 O9 P C([C@@H]1[....
5 6I7W Kd = 2 uM H6Z C9 H19 O11 P C[C@@H](C(....
6 4ZEB - ARA TT7 4GL n/a n/a
7 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LAO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 LAO 1 1
2 LAH 0.586957 0.902439
3 X1P 0.431818 0.974359
Similar Ligands (3D)
Ligand no: 1; Ligand: LAO; Similar ligands found: 464
No: Ligand Similarity coefficient
1 505 0.9394
2 2CL 0.9202
3 6DP 0.9186
4 XXG 0.9158
5 IPD 0.9131
6 L7T 0.9114
7 K5W 0.9113
8 JTH 0.9101
9 FBT 0.9080
10 QMS 0.9077
11 5NS 0.9071
12 KFH 0.9071
13 3IT 0.9066
14 OA3 0.9056
15 KGK 0.9051
16 PRZ 0.9045
17 ICT 0.9037
18 J9Q 0.9034
19 DHK 0.9033
20 I4D 0.9022
21 R9S 0.9022
22 97T 0.9018
23 UFV 0.9010
24 M1P 0.9003
25 SYA 0.9003
26 SKM 0.9003
27 4AA 0.9002
28 NGA 0.8994
29 NCV 0.8984
30 INO 0.8980
31 CTS 0.8980
32 QMP 0.8979
33 ICO 0.8979
34 TTY 0.8978
35 GCU 0.8969
36 8U3 0.8966
37 KG1 0.8964
38 GDE 0.8955
39 X0V 0.8952
40 LZ2 0.8949
41 DC5 0.8946
42 5RO 0.8945
43 NVU 0.8944
44 7WR 0.8941
45 3RI 0.8941
46 F1A 0.8940
47 BEA 0.8939
48 4XV 0.8936
49 92K 0.8936
50 M3Q 0.8933
51 MAJ 0.8933
52 C2Y 0.8932
53 BDP 0.8932
54 GLC 0.8932
55 ADA 0.8931
56 BGC 0.8931
57 EMZ 0.8930
58 4SX 0.8928
59 ARP 0.8926
60 EKZ 0.8924
61 2CZ 0.8924
62 42C 0.8923
63 8S0 0.8922
64 92P 0.8922
65 DHY 0.8921
66 3HA 0.8917
67 IAC 0.8917
68 ESI 0.8916
69 2PG 0.8915
70 2HC 0.8914
71 FBV 0.8912
72 MQG 0.8910
73 FP1 0.8906
74 B62 0.8905
75 N3W 0.8905
76 EXD 0.8905
77 0P6 0.8902
78 CLU 0.8901
79 GZL 0.8901
80 ALL 0.8898
81 2AL 0.8898
82 IOS 0.8897
83 261 0.8896
84 G3F 0.8895
85 4ME 0.8895
86 CIT 0.8893
87 1F1 0.8892
88 BNX 0.8891
89 DBH 0.8887
90 UFO 0.8886
91 5WY 0.8886
92 3FH 0.8886
93 HQD 0.8885
94 DMJ 0.8882
95 2O6 0.8880
96 0HN 0.8879
97 36E 0.8879
98 N8Y 0.8878
99 RES 0.8877
100 KBB 0.8876
101 TSR 0.8873
102 BDF 0.8872
103 0HO 0.8870
104 VNL 0.8870
105 HPS 0.8869
106 52C 0.8869
107 BY5 0.8868
108 IJZ 0.8868
109 FLC 0.8868
110 MQB 0.8867
111 KTA 0.8864
112 MHK 0.8862
113 0FK 0.8859
114 DHB 0.8859
115 CN0 0.8857
116 15L 0.8856
117 GTK 0.8855
118 AMS 0.8853
119 0F9 0.8853
120 5RN 0.8851
121 Z5P 0.8850
122 F12 0.8850
123 EVA 0.8849
124 HHA 0.8844
125 DX3 0.8843
126 F69 0.8843
127 LNR 0.8843
128 1KH 0.8842
129 6ME 0.8842
130 Q6T 0.8842
131 AKH 0.8841
132 GAL 0.8841
133 A2G 0.8840
134 LIP 0.8839
135 JAW 0.8839
136 HHR 0.8838
137 93K 0.8838
138 QX4 0.8838
139 15N 0.8838
140 FH2 0.8837
141 4P0 0.8837
142 CCV 0.8836
143 2LY 0.8832
144 OHP 0.8830
145 MAN 0.8829
146 3A9 0.8828
147 MJ2 0.8827
148 3MG 0.8826
149 FOT 0.8826
150 KYA 0.8824
151 IFP 0.8823
152 1XA 0.8822
153 ZYR 0.8820
154 N2Z 0.8818
155 GRF 0.8818
156 AMQ 0.8818
157 HSX 0.8817
158 KP6 0.8817
159 8XQ 0.8817
160 A13 0.8817
161 PH2 0.8815
162 GLA 0.8815
163 FDK 0.8815
164 8CM 0.8810
165 P7Y 0.8810
166 LYL 0.8808
167 GCB 0.8808
168 DQU 0.8808
169 2HO 0.8805
170 FBW 0.8805
171 HKD 0.8804
172 LGC 0.8804
173 4KL 0.8803
174 8WT 0.8802
175 CWS 0.8802
176 209 0.8800
177 57O 0.8799
178 9KH 0.8796
179 OMD 0.8796
180 6NI 0.8795
181 TSU 0.8794
182 F31 0.8794
183 2KA 0.8792
184 1SS 0.8791
185 4FH 0.8791
186 APZ 0.8791
187 BZ2 0.8791
188 ASC 0.8789
189 6NT 0.8788
190 289 0.8787
191 AIN 0.8787
192 AMG 0.8787
193 SHA 0.8786
194 FB1 0.8786
195 8HC 0.8782
196 EVF 0.8781
197 URC 0.8780
198 DQA 0.8778
199 2FQ 0.8777
200 4NC 0.8777
201 IFL 0.8776
202 GCS 0.8774
203 CH9 0.8774
204 ESP 0.8773
205 FA3 0.8772
206 293 0.8770
207 KUF 0.8770
208 NAG 0.8769
209 61M 0.8769
210 FDR 0.8768
211 3PG 0.8767
212 BPY 0.8765
213 KTW 0.8764
214 ONR 0.8763
215 3NY 0.8763
216 MYJ 0.8763
217 JB8 0.8762
218 2SX 0.8762
219 XX2 0.8762
220 MZB 0.8759
221 4XS 0.8758
222 CHB 0.8757
223 APS 0.8756
224 SAN 0.8755
225 PFL 0.8755
226 EGR 0.8754
227 ASO 0.8752
228 ESX 0.8752
229 SOR 0.8750
230 NNO 0.8750
231 HQJ 0.8748
232 JRB 0.8746
233 FE DB1 0.8745
234 AY4 0.8742
235 8WO 0.8742
236 PMF 0.8740
237 0N7 0.8740
238 44V 0.8740
239 GAF 0.8739
240 MS9 0.8738
241 DHS 0.8737
242 GTR 0.8736
243 VXX 0.8736
244 FBS 0.8735
245 3Z8 0.8735
246 3M0 0.8735
247 L5E 0.8732
248 DNA 0.8730
249 XFE 0.8729
250 ABI 0.8729
251 GV9 0.8727
252 S24 0.8727
253 2ZM 0.8727
254 23J 0.8725
255 9KT 0.8725
256 6FZ 0.8725
257 XXP 0.8725
258 XCZ 0.8724
259 7ZE 0.8724
260 2H5 0.8723
261 X6X 0.8722
262 069 0.8721
263 DNC 0.8721
264 7NI 0.8721
265 BMA 0.8720
266 SHG 0.8719
267 L5V 0.8719
268 0W1 0.8717
269 R20 0.8717
270 3AL 0.8716
271 QPR 0.8715
272 ROI 0.8715
273 LI6 0.8714
274 DNF 0.8714
275 GJP 0.8714
276 TFU 0.8713
277 8GK 0.8712
278 5NE 0.8712
279 G1P 0.8710
280 CFA 0.8710
281 JR2 0.8710
282 QSH 0.8709
283 M1Q 0.8709
284 IV2 0.8709
285 GT0 0.8708
286 BSX 0.8706
287 9TW 0.8706
288 NLA 0.8705
289 TYL 0.8702
290 4P5 0.8702
291 SYC 0.8702
292 DPZ 0.8701
293 ZXD 0.8700
294 JDN 0.8700
295 JND 0.8699
296 FHB 0.8699
297 J9T 0.8699
298 P9P 0.8698
299 FA0 0.8698
300 3F0 0.8698
301 HMQ 0.8698
302 DTR 0.8697
303 NDG 0.8696
304 EOL 0.8696
305 PJW 0.8696
306 M4E 0.8695
307 4J8 0.8695
308 HCI 0.8694
309 M5H 0.8693
310 DJN 0.8691
311 5RP 0.8691
312 FBU 0.8690
313 XHP 0.8690
314 AX3 0.8690
315 49O 0.8690
316 YSO 0.8689
317 ODO 0.8688
318 INE 0.8686
319 1A7 0.8685
320 1GN 0.8684
321 46M 0.8684
322 HJP 0.8683
323 7CT 0.8682
324 54X 0.8680
325 2ZQ 0.8676
326 M2K 0.8676
327 AZ9 0.8676
328 1WC 0.8675
329 0JD 0.8674
330 GOX 0.8673
331 TSS 0.8673
332 535 0.8671
333 9FL 0.8670
334 BBK 0.8670
335 SR1 0.8670
336 4A3 0.8666
337 H33 0.8666
338 L99 0.8665
339 2K8 0.8663
340 NOJ 0.8661
341 JZ4 0.8660
342 S0G 0.8658
343 0LH 0.8658
344 TRP 0.8658
345 HNQ 0.8658
346 GDL 0.8658
347 DEE 0.8657
348 KLK 0.8656
349 DHC 0.8654
350 NID 0.8653
351 NBG 0.8650
352 2FG 0.8649
353 OTW 0.8648
354 B2Y 0.8648
355 UAN 0.8647
356 PZI 0.8647
357 N2I 0.8647
358 CBF 0.8647
359 TTL 0.8645
360 5NI 0.8643
361 JKZ 0.8641
362 KJ5 0.8639
363 2D0 0.8639
364 PFB 0.8637
365 DIN 0.8636
366 QBK 0.8635
367 ORO 0.8635
368 149 0.8633
369 2LP 0.8633
370 QIC 0.8632
371 O2A 0.8632
372 JLZ 0.8632
373 S3C 0.8631
374 FA1 0.8630
375 2HU 0.8630
376 67X 0.8629
377 60Q 0.8629
378 4RU 0.8628
379 G2F 0.8627
380 AAS 0.8624
381 GJZ 0.8624
382 RM1 0.8622
383 9PY 0.8621
384 NDH 0.8620
385 SJ5 0.8620
386 PHU 0.8619
387 PAC 0.8618
388 PXL 0.8617
389 3HM 0.8616
390 8W9 0.8615
391 B4O 0.8613
392 0FO 0.8613
393 LDP 0.8613
394 1LN 0.8612
395 SVD 0.8612
396 IBM 0.8610
397 SFU 0.8610
398 VK3 0.8610
399 G6P 0.8609
400 2FY 0.8609
401 27B 0.8608
402 28N 0.8607
403 P84 0.8606
404 2EC 0.8606
405 AM1 0.8605
406 MFU 0.8605
407 Q02 0.8603
408 R9Y 0.8602
409 M4T 0.8602
410 GIV 0.8601
411 R1P 0.8598
412 FGZ 0.8598
413 JF1 0.8593
414 HHT 0.8593
415 HA7 0.8592
416 SRO 0.8591
417 NTZ 0.8590
418 RXA 0.8589
419 39O 0.8588
420 F1P 0.8585
421 DOR 0.8584
422 JG8 0.8582
423 A9P 0.8581
424 3C4 0.8580
425 12Q 0.8580
426 MVN 0.8579
427 G5V 0.8577
428 QY9 0.8576
429 1Z8 0.8575
430 B85 0.8573
431 6XI 0.8573
432 FCR 0.8572
433 HQT 0.8569
434 MRW 0.8569
435 GYE 0.8567
436 1SV 0.8565
437 MBG 0.8565
438 A7W 0.8564
439 E7Z 0.8563
440 LPK 0.8563
441 7W1 0.8562
442 6TZ 0.8561
443 VOH 0.8559
444 5WX 0.8557
445 URS 0.8552
446 173 0.8551
447 UEG 0.8549
448 QM1 0.8548
449 GOG 0.8547
450 JF2 0.8544
451 ATH 0.8544
452 B60 0.8535
453 51R 0.8532
454 CTL 0.8531
455 PYQ 0.8530
456 ZME 0.8529
457 2F6 0.8529
458 TEP 0.8521
459 A29 0.8520
460 4CS 0.8519
461 ALX 0.8519
462 4TU 0.8515
463 2BG 0.8514
464 DIE 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RA1; Ligand: BNX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RA1; Ligand: BNX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RA1; Ligand: ALX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RA1; Ligand: ALX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RA1; Ligand: BNX; 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: 4ra1.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4RA1; Ligand: ALX; 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: 4ra1.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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