Receptor
PDB id Resolution Class Description Source Keywords
3FJ7 1.7 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF L-PHOSPHOLACTATE BOUND PEB3 CAMPYLOBACTER JEJUNI PEB3 PEP PROTEIN BINDING
Ref.: SPECIFICITY OF CAMPYLOBACTER JEJUNI ADHESIN PEB3 FOR PHOSPHATES AND STRUCTURAL DIFFERENCES AMONG ITS LIGAND COMPLEXES. BIOCHEMISTRY V. 48 3057 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEQ A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
170.058 C3 H7 O6 P C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FJG 2.2 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF 3PG BOUND PEB3 CAMPYLOBACTER JEJUNI PEB3 3PG TRANSPORT PROTEIN
Ref.: SPECIFICITY OF CAMPYLOBACTER JEJUNI ADHESIN PEB3 FOR PHOSPHATES AND STRUCTURAL DIFFERENCES AMONG ITS LIGAND COMPLEXES. BIOCHEMISTRY V. 48 3057 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 3FIR - FLC C6 H5 O7 C(C(=O)[O-....
2 3FJ7 - PEQ C3 H7 O6 P C[C@@H](C(....
3 3FJG Kd = 187 uM 3PG C3 H7 O7 P C([C@H](C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 3FIR - FLC C6 H5 O7 C(C(=O)[O-....
2 3FJ7 - PEQ C3 H7 O6 P C[C@@H](C(....
3 3FJG Kd = 187 uM 3PG C3 H7 O7 P C([C@H](C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3FIR - FLC C6 H5 O7 C(C(=O)[O-....
2 3FJ7 - PEQ C3 H7 O6 P C[C@@H](C(....
3 3FJG Kd = 187 uM 3PG C3 H7 O7 P C([C@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PEQ; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PEQ 1 1
2 0V5 1 1
3 TPO 0.5 0.727273
4 PEZ 0.5 0.833333
5 2PG 0.482759 0.705882
6 XSP 0.466667 0.923077
7 3PG 0.40625 0.727273
8 DG2 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: PEQ; Similar ligands found: 565
No: Ligand Similarity coefficient
1 PEP 0.9969
2 GZ3 0.9958
3 3SL 0.9737
4 R67 0.9718
5 PGA 0.9657
6 SPV 0.9623
7 FB2 0.9572
8 LEU 0.9559
9 MLT 0.9539
10 PPR 0.9525
11 ASP 0.9513
12 PMB 0.9494
13 LMR 0.9491
14 AL0 0.9475
15 OAA 0.9471
16 ASN 0.9470
17 COI 0.9456
18 LLQ 0.9417
19 CMS 0.9406
20 JYD 0.9394
21 40E 0.9384
22 TEO 0.9381
23 1SH 0.9373
24 AKG 0.9373
25 1SA 0.9372
26 TLA 0.9362
27 KVP 0.9356
28 FB1 0.9350
29 TSU 0.9336
30 A09 0.9333
31 FBV 0.9332
32 DYA 0.9331
33 2RH 0.9331
34 FBW 0.9328
35 13P 0.9318
36 XCZ 0.9316
37 8K2 0.9315
38 1GP 0.9301
39 SAN 0.9294
40 2PN 0.9294
41 UGC 0.9292
42 QMP 0.9290
43 AAS 0.9289
44 AMS 0.9289
45 X1S 0.9288
46 4J8 0.9283
47 FBS 0.9275
48 152 0.9274
49 GLU 0.9272
50 GUA 0.9272
51 G3P 0.9264
52 G3H 0.9264
53 1DV 0.9262
54 DGL 0.9254
55 FCR 0.9247
56 ACH 0.9246
57 SYM 0.9240
58 173 0.9239
59 ORN 0.9237
60 DAS 0.9235
61 HL5 0.9228
62 1DQ 0.9227
63 NM2 0.9220
64 HG3 0.9220
65 NM3 0.9220
66 BAM 0.9219
67 GLN 0.9214
68 CYX 0.9213
69 7N0 0.9213
70 98J 0.9212
71 POP 0.9211
72 BEN 0.9211
73 PBC 0.9211
74 IOM 0.9206
75 TAR 0.9205
76 BEZ 0.9203
77 IP8 0.9202
78 GVM 0.9200
79 PPV 0.9200
80 GP9 0.9197
81 SIN 0.9194
82 AHB 0.9193
83 NCA 0.9189
84 CFI 0.9188
85 6M4 0.9188
86 2CO 0.9186
87 P22 0.9185
88 ICF 0.9185
89 NXA 0.9182
90 PZA 0.9182
91 DGN 0.9179
92 ITN 0.9175
93 UNU 0.9172
94 HIO 0.9170
95 MDN 0.9170
96 SRT 0.9169
97 NIO 0.9168
98 6PC 0.9163
99 G2H 0.9161
100 FUM 0.9159
101 2FT 0.9158
102 RHU 0.9158
103 SEP 0.9155
104 51R 0.9153
105 NBZ 0.9151
106 RNT 0.9148
107 4SX 0.9147
108 X0V 0.9143
109 PAH 0.9143
110 PGH 0.9138
111 ILE 0.9137
112 2AS 0.9136
113 PHB 0.9136
114 PLU 0.9134
115 SD4 0.9133
116 3PP 0.9130
117 NPO 0.9130
118 3HB 0.9129
119 GAB 0.9127
120 NTN 0.9126
121 4LR 0.9124
122 I4B 0.9124
123 ISZ 0.9124
124 ODV 0.9124
125 NLE 0.9122
126 BE2 0.9120
127 BHO 0.9120
128 QY9 0.9114
129 OPE 0.9111
130 DS0 0.9110
131 BNS 0.9102
132 2IT 0.9101
133 GGL 0.9101
134 PIS 0.9101
135 3NT 0.9099
136 PAB 0.9098
137 IFP 0.9096
138 2HG 0.9095
139 SAL 0.9095
140 ONL 0.9092
141 SKG 0.9091
142 PAC 0.9090
143 LTL 0.9090
144 GPJ 0.9087
145 GPF 0.9087
146 HX2 0.9087
147 IHG 0.9086
148 VGL 0.9083
149 RNS 0.9082
150 DYT 0.9080
151 ES6 0.9078
152 OGA 0.9076
153 93K 0.9075
154 TB6 0.9073
155 3LR 0.9072
156 SS2 0.9072
157 EKZ 0.9070
158 INO 0.9069
159 MXN 0.9069
160 R9M 0.9069
161 OEG 0.9069
162 KMH 0.9064
163 PBZ 0.9063
164 MET 0.9062
165 DHB 0.9062
166 URQ 0.9061
167 AT3 0.9060
168 ALA ALA 0.9058
169 41K 0.9056
170 Z82 0.9054
171 DBX 0.9053
172 OEM 0.9052
173 PC 0.9052
174 YCP 0.9050
175 MAE 0.9049
176 AC6 0.9047
177 S0H 0.9047
178 MYJ 0.9046
179 SS1 0.9046
180 ZGL 0.9045
181 OSE 0.9045
182 UYA 0.9040
183 7VD 0.9037
184 PSE 0.9034
185 K7M 0.9029
186 GJZ 0.9027
187 JKE 0.9026
188 CCD 0.9026
189 TZC 0.9024
190 LYS 0.9023
191 1Y6 0.9019
192 IZC 0.9018
193 RMN 0.9018
194 NIZ 0.9017
195 HSO 0.9017
196 DAB 0.9015
197 OVV 0.9014
198 TPA 0.9013
199 4NC 0.9013
200 HBU 0.9011
201 60P 0.9011
202 23J 0.9010
203 PZI 0.9008
204 FEH 0.9007
205 9ON 0.9006
206 HSE 0.9003
207 P9P 0.9003
208 XLS 0.9001
209 PCA 0.9000
210 QSC 0.9000
211 3YP 0.8999
212 4MA 0.8997
213 MLE 0.8997
214 DCL 0.8997
215 TIU 0.8995
216 AC0 0.8994
217 DAL DAL 0.8992
218 OHP 0.8992
219 EDR 0.8991
220 CP 0.8991
221 SC2 0.8991
222 9RW 0.8990
223 6JN 0.8990
224 HBD 0.8989
225 A20 0.8988
226 UY7 0.8987
227 5RG 0.8986
228 3U4 0.8985
229 PEA 0.8983
230 GAG 0.8983
231 SMV 0.8981
232 S2G 0.8980
233 9X7 0.8980
234 8OZ 0.8978
235 RSO 0.8975
236 P72 0.8975
237 NVA 0.8974
238 MPD 0.8973
239 8EW 0.8972
240 9TW 0.8970
241 0VT 0.8969
242 3OC 0.8969
243 KBB 0.8968
244 URP 0.8968
245 53C 0.8968
246 FQI 0.8968
247 JBN 0.8967
248 4CS 0.8967
249 HIS 0.8966
250 HCS 0.8964
251 2PC 0.8963
252 XBT 0.8962
253 VNJ 0.8962
254 9X6 0.8961
255 CHB 0.8961
256 HPS 0.8959
257 7WG 0.8958
258 C21 0.8957
259 54D 0.8955
260 GLY GLY 0.8955
261 4FH 0.8955
262 PMF 0.8955
263 QSB 0.8953
264 K34 0.8952
265 MUC 0.8952
266 2HO 0.8951
267 PG3 0.8950
268 XYL 0.8950
269 KMT 0.8949
270 M58 0.8948
271 K5W 0.8948
272 0OC 0.8946
273 1P3 0.8944
274 NMG 0.8942
275 SVD 0.8942
276 KIV 0.8941
277 CCE 0.8939
278 CRN 0.8938
279 OTR 0.8937
280 HPV 0.8936
281 PRO 0.8936
282 DQY 0.8935
283 XUL 0.8935
284 3HG 0.8935
285 GTQ 0.8934
286 EYK 0.8933
287 DHI 0.8932
288 F9P 0.8931
289 SPA 0.8930
290 PAF 0.8928
291 PYC 0.8927
292 FBM 0.8925
293 OK7 0.8924
294 SMN 0.8924
295 FAN 0.8923
296 TP5 0.8922
297 HSM 0.8921
298 HCI 0.8919
299 5M0 0.8919
300 FBT 0.8918
301 MNN 0.8918
302 3HP 0.8917
303 IHB 0.8915
304 KVV 0.8911
305 I1E 0.8911
306 SOL 0.8906
307 SHA 0.8906
308 GLY ALA 0.8904
309 LNR 0.8904
310 DOB 0.8903
311 SYC 0.8903
312 FSG 0.8900
313 K6H 0.8899
314 HYP 0.8899
315 URS 0.8898
316 1DJ 0.8897
317 PHU 0.8893
318 ZBT 0.8893
319 TZL 0.8893
320 MED 0.8893
321 MTL 0.8890
322 3BZ 0.8888
323 273 0.8887
324 RUJ 0.8884
325 SW7 0.8883
326 129 0.8882
327 CXF 0.8881
328 54G 0.8880
329 HGA 0.8878
330 F05 0.8877
331 KPL 0.8874
332 8GC 0.8874
333 14J 0.8874
334 5FX 0.8873
335 PCT 0.8873
336 RAT 0.8871
337 BE7 0.8871
338 GG6 0.8870
339 GTK 0.8869
340 M45 0.8868
341 3AB 0.8868
342 PEL 0.8866
343 5HN 0.8865
344 265 0.8865
345 5CU 0.8864
346 LNO 0.8863
347 FOA 0.8862
348 5AC 0.8861
349 FA0 0.8859
350 4HP 0.8858
351 3BU 0.8858
352 HBA 0.8854
353 UFV 0.8853
354 TZE 0.8853
355 69O 0.8849
356 7A8 0.8848
357 B85 0.8848
358 IP0 0.8848
359 HDA 0.8846
360 HY1 0.8844
361 AC5 0.8843
362 APG 0.8842
363 3SK 0.8841
364 J9T 0.8840
365 4P5 0.8836
366 GRO 0.8835
367 HZP 0.8832
368 JLZ 0.8831
369 RB5 0.8830
370 WOT 0.8830
371 H95 0.8829
372 258 0.8828
373 4SV 0.8827
374 SAT 0.8827
375 BZ3 0.8827
376 5XB 0.8826
377 THE 0.8825
378 T9G 0.8825
379 FLA 0.8824
380 5NU 0.8823
381 WCE 0.8822
382 M4T 0.8822
383 TIH 0.8821
384 BHA 0.8821
385 271 0.8820
386 R9S 0.8820
387 RBL 0.8818
388 J9Q 0.8817
389 GLY CYS 0.8817
390 3FH 0.8816
391 DE5 0.8815
392 FK8 0.8815
393 HYA 0.8813
394 SHF 0.8812
395 RTK 0.8810
396 E4P 0.8809
397 GYE 0.8809
398 N4B 0.8808
399 QDK 0.8807
400 826 0.8807
401 KTA 0.8807
402 7WV 0.8805
403 4MV 0.8805
404 069 0.8805
405 FA1 0.8805
406 JZ5 0.8804
407 XRG 0.8803
408 M3H 0.8802
409 BZX 0.8802
410 9TZ 0.8801
411 9YL 0.8800
412 PAE 0.8799
413 1WD 0.8796
414 HDH 0.8796
415 ROR 0.8795
416 3S5 0.8794
417 LY0 0.8793
418 NNO 0.8790
419 XM0 0.8790
420 LFC 0.8786
421 XX2 0.8782
422 4M0 0.8782
423 5MK 0.8781
424 MZT 0.8780
425 PPY 0.8780
426 IT2 0.8780
427 IXW 0.8779
428 FBJ 0.8776
429 XXG 0.8776
430 DHS 0.8774
431 FHB 0.8772
432 HY3 0.8770
433 MRZ 0.8770
434 2LP 0.8768
435 JZ7 0.8767
436 1DU 0.8767
437 OXQ 0.8764
438 PRA 0.8764
439 HHH 0.8764
440 M6W 0.8764
441 1LN 0.8764
442 3MB 0.8764
443 3HA 0.8763
444 4A3 0.8760
445 VAH 0.8758
446 2AL 0.8758
447 CEE 0.8758
448 IPB 0.8758
449 MWP 0.8754
450 BRT 0.8751
451 HMS 0.8749
452 GLO 0.8749
453 FBU 0.8748
454 KOJ 0.8747
455 GBD 0.8746
456 3HM 0.8746
457 MSE 0.8746
458 4NG 0.8744
459 HFA 0.8744
460 4P0 0.8743
461 DMV 0.8743
462 174 0.8738
463 NCT 0.8738
464 717 0.8737
465 DTL 0.8734
466 SKJ 0.8734
467 LER 0.8733
468 2D8 0.8732
469 3M0 0.8728
470 HBX 0.8727
471 LDP 0.8727
472 NYL 0.8726
473 RBJ 0.8724
474 ASC 0.8723
475 SOR 0.8722
476 TYE 0.8722
477 4FA 0.8720
478 TFB 0.8720
479 MJ2 0.8719
480 NMJ 0.8717
481 OVM 0.8715
482 AEF 0.8714
483 EHM 0.8712
484 XX3 0.8710
485 6M9 0.8706
486 LT2 0.8706
487 T2C 0.8704
488 CXP 0.8702
489 JZ4 0.8701
490 2CK 0.8700
491 45L 0.8698
492 5OB 0.8698
493 A13 0.8697
494 51F 0.8696
495 ABN 0.8696
496 6OT 0.8695
497 BAE 0.8695
498 6CS 0.8692
499 PKU 0.8687
500 HTX 0.8684
501 SNE 0.8681
502 4JC 0.8679
503 PRS 0.8678
504 BNF 0.8678
505 O7U 0.8675
506 PHE 0.8675
507 HF2 0.8675
508 SIF 0.8674
509 2FY 0.8674
510 LPK 0.8669
511 6NA 0.8662
512 8EZ 0.8659
513 BHH 0.8658
514 L99 0.8657
515 SYG 0.8655
516 449 0.8654
517 FP1 0.8652
518 14O 0.8651
519 FBA 0.8651
520 Q03 0.8650
521 OMD 0.8645
522 264 0.8644
523 F60 0.8639
524 5H1 0.8638
525 261 0.8638
526 AHN 0.8636
527 2K4 0.8633
528 MAK 0.8632
529 23W 0.8631
530 HHA 0.8630
531 9J3 0.8627
532 GZL 0.8626
533 2TQ 0.8626
534 6AI 0.8621
535 F31 0.8621
536 7MU 0.8620
537 9YT 0.8619
538 PIM 0.8619
539 SX1 0.8616
540 CSS 0.8611
541 MEQ 0.8607
542 PYJ 0.8601
543 M4S 0.8598
544 4JT 0.8596
545 JFJ 0.8595
546 97T 0.8594
547 4WL 0.8590
548 3V4 0.8589
549 MR1 0.8589
550 4PN 0.8589
551 VNL 0.8587
552 PSJ 0.8585
553 Q02 0.8582
554 B09 0.8582
555 N2Z 0.8578
556 RJY 0.8574
557 SSN 0.8571
558 52C 0.8570
559 DA4 0.8565
560 GCO 0.8558
561 S24 0.8551
562 ICO 0.8543
563 RIB 0.8537
564 CS2 0.8525
565 GBN 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FJG; Ligand: 3PG; 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: 3fjg.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3FJG; Ligand: 3PG; 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: 3fjg.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3FJG; Ligand: 3PG; 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: 3fjg.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3FJG; Ligand: 3PG; 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: 3fjg.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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