Receptor
PDB id Resolution Class Description Source Keywords
2J1G 1.95 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO N-ACETYL-CYSTEIN HOMO SAPIENS GLYCOPROTEIN FICRINOGEN-LIKE INNATE IMMUNITY PATTERN RECOPROTEIN LECTIN COLLAGEN IMMUNOLOGY LECTIN- LIKE SUGAR PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE INNATE IMMUNE RECOGNIT SPECIFICITIES OF L- AND H-FICOLINS. EMBO J. V. 26 623 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1289;
C:1289;
C:1290;
E:1289;
F:1289;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA B:1290;
C:1291;
D:1289;
E:1290;
F:1291;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
NAG NAG H:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
NAG NAG FUC BMA MAN G:1;
 Invalid;
 none;
 submit data
n/a n/a
P4C B:1296;
B:1297;
E:1293;
E:1294;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
324.367 C14 H28 O8 C(COC...
SC2 F:1290;
 Valid;
 none;
 submit data
163.195 C5 H9 N O3 S CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NYT 2.25 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO PHOSPHOCHOLINE HOMO SAPIENS SOLUBLE INNATE IMMUNE RECOGNITION EXTRACELLULAR IMMUNE SYS
Ref.: HUMAN L-FICOLIN RECOGNIZES PHOSPHOCHOLINE MOIETIES PNEUMOCOCCAL TEICHOIC ACID J.IMMUNOL. V. 193 5699 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
6 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
7 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
8 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4M7F - BM3 C8 H15 N O6 CC(=O)N[C@....
2 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
3 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
4 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
5 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
6 2J3U - GLA C6 H12 O6 C([C@@H]1[....
7 2J60 - ABE C6 H12 O4 C[C@@H]1[C....
8 2J5Z - GAL C6 H12 O6 C([C@@H]1[....
9 1JC9 - NAG C8 H15 N O6 CC(=O)N[C@....
10 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
11 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
12 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SC2; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 SC2 1 1
2 SAC 0.607143 0.870968
3 AN0 0.53125 0.727273
4 NLG 0.515152 0.75
5 NLQ 0.485714 0.685714
6 AME 0.472222 0.722222
7 AOR 0.472222 0.764706
8 OLN 0.414634 0.65
9 3GC 0.414634 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: SC2; Similar ligands found: 477
No: Ligand Similarity coefficient
1 OEM 0.9731
2 MLT 0.9712
3 NXA 0.9646
4 P4B 0.9608
5 OAA 0.9575
6 IOM 0.9545
7 DAS 0.9528
8 N8P 0.9412
9 8EZ 0.9408
10 UGC 0.9379
11 CRN 0.9367
12 CDV 0.9334
13 40E 0.9318
14 LMR 0.9306
15 LEU 0.9303
16 COI 0.9300
17 ITN 0.9295
18 GLY CYS 0.9291
19 3MV 0.9286
20 DYA 0.9264
21 ICF 0.9249
22 ASN 0.9239
23 NFQ 0.9235
24 ASP 0.9226
25 JYD 0.9214
26 NCD 0.9214
27 TEO 0.9212
28 MLE 0.9205
29 2TQ 0.9192
30 PEZ 0.9187
31 6JN 0.9186
32 2PG 0.9178
33 98J 0.9170
34 R9S 0.9162
35 PEP 0.9157
36 TRC 0.9145
37 GRO 0.9132
38 HY3 0.9126
39 JKE 0.9122
40 3OC 0.9121
41 IPZ 0.9118
42 CCB 0.9117
43 51F 0.9115
44 BNS 0.9113
45 PCA 0.9106
46 AKG 0.9103
47 8EW 0.9096
48 PZI 0.9093
49 HDA 0.9091
50 GZ3 0.9090
51 SPV 0.9088
52 9X7 0.9087
53 7N0 0.9084
54 VPR 0.9083
55 TZE 0.9081
56 5AC 0.9080
57 TLA 0.9077
58 AC0 0.9077
59 GLN 0.9074
60 34D 0.9073
61 3SK 0.9073
62 IHG 0.9073
63 SS2 0.9071
64 0OC 0.9057
65 2AL 0.9056
66 6PC 0.9055
67 N7P 0.9052
68 SRT 0.9050
69 CMS 0.9049
70 ORO 0.9047
71 VNJ 0.9045
72 HSE 0.9045
73 ASC 0.9045
74 FPK 0.9045
75 6CS 0.9040
76 IP0 0.9033
77 TRA 0.9032
78 BE2 0.9030
79 G2H 0.9028
80 QSC 0.9026
81 DCL 0.9026
82 DOR 0.9022
83 VAL 0.9020
84 RSO 0.9019
85 JZ3 0.9017
86 BAM 0.9015
87 XSP 0.9009
88 53C 0.9008
89 2HG 0.9007
90 FBM 0.9007
91 PRZ 0.9005
92 AH8 0.8999
93 CIZ 0.8999
94 QY9 0.8994
95 PEQ 0.8991
96 ES6 0.8990
97 R2B 0.8988
98 4SV 0.8987
99 URP 0.8987
100 8OZ 0.8986
101 FUM 0.8986
102 NCA 0.8985
103 BDR 0.8984
104 ISZ 0.8984
105 C2A 0.8983
106 0V5 0.8983
107 R1X 0.8982
108 3NT 0.8979
109 DII 0.8978
110 SIN 0.8977
111 BEN 0.8976
112 GTQ 0.8973
113 YCP 0.8973
114 SKM 0.8972
115 GUA 0.8971
116 BEZ 0.8971
117 60P 0.8970
118 12M 0.8970
119 GYE 0.8969
120 AL0 0.8969
121 MRZ 0.8968
122 AHR 0.8967
123 MUC 0.8966
124 DHK 0.8964
125 SAL 0.8960
126 PBC 0.8958
127 DGL 0.8958
128 MEV 0.8957
129 4CS 0.8957
130 D1X 0.8956
131 FB1 0.8955
132 NIO 0.8953
133 GLU 0.8952
134 PPR 0.8950
135 7WV 0.8949
136 GLY ALA 0.8949
137 FP1 0.8948
138 4NG 0.8947
139 3U4 0.8944
140 8GL 0.8941
141 PZA 0.8941
142 RNS 0.8940
143 AC5 0.8938
144 GAG 0.8938
145 PRO 0.8936
146 I1E 0.8936
147 UNU 0.8935
148 2IT 0.8934
149 HZP 0.8933
150 NIZ 0.8933
151 9TY 0.8932
152 P9P 0.8932
153 RIB 0.8929
154 6LW 0.8929
155 SHA 0.8927
156 5HY 0.8925
157 4MV 0.8925
158 NVA 0.8921
159 ORN 0.8919
160 IPM 0.8917
161 1WD 0.8915
162 CXF 0.8914
163 9RW 0.8914
164 FEH 0.8914
165 NTM 0.8911
166 TIU 0.8909
167 NTN 0.8909
168 3AB 0.8908
169 CIT 0.8908
170 1LN 0.8908
171 ILE 0.8907
172 1AB 0.8907
173 7WG 0.8907
174 1AL 0.8904
175 4NC 0.8902
176 TAR 0.8898
177 HL5 0.8894
178 BHO 0.8890
179 PRY 0.8890
180 2AS 0.8886
181 URQ 0.8885
182 9YL 0.8884
183 3HB 0.8884
184 TZL 0.8883
185 ZBT 0.8883
186 JZ4 0.8882
187 FBJ 0.8881
188 QDK 0.8881
189 BSX 0.8878
190 OHP 0.8877
191 APG 0.8877
192 2DR 0.8876
193 XYL 0.8874
194 261 0.8874
195 3AL 0.8873
196 FLC 0.8873
197 5RG 0.8872
198 ALA ALA 0.8870
199 SIF 0.8870
200 OGA 0.8869
201 69O 0.8865
202 286 0.8860
203 CFI 0.8857
204 ICT 0.8857
205 RBL 0.8856
206 2LP 0.8855
207 VGL 0.8853
208 MAE 0.8852
209 ROR 0.8850
210 5FX 0.8850
211 3BZ 0.8849
212 2MN 0.8848
213 DPF 0.8847
214 2EH 0.8846
215 DHB 0.8845
216 NMJ 0.8845
217 F9P 0.8845
218 KOJ 0.8844
219 RHU 0.8844
220 NK 0.8844
221 THR 0.8844
222 OXQ 0.8843
223 GJZ 0.8842
224 DBH 0.8841
225 OXC 0.8840
226 SMN 0.8839
227 SPA 0.8839
228 9TZ 0.8838
229 PGA 0.8836
230 GLY PRO 0.8834
231 LSA 0.8833
232 FSG 0.8831
233 PAC 0.8831
234 AC6 0.8831
235 EHM 0.8830
236 173 0.8830
237 ISD 0.8829
238 3SL 0.8828
239 GBD 0.8825
240 RNT 0.8824
241 1P3 0.8823
242 HIO 0.8823
243 WCE 0.8823
244 T9G 0.8821
245 GAB 0.8821
246 SS1 0.8820
247 PMB 0.8820
248 SNE 0.8819
249 RMN 0.8818
250 RB5 0.8814
251 RB0 0.8814
252 0R0 0.8814
253 1DJ 0.8813
254 HBD 0.8813
255 MYJ 0.8811
256 PHU 0.8811
257 HHA 0.8811
258 5CU 0.8806
259 FOA 0.8806
260 51R 0.8805
261 NBZ 0.8804
262 V55 0.8804
263 HCS 0.8802
264 IMR 0.8802
265 PBE 0.8801
266 FPY 0.8800
267 OVV 0.8799
268 MNN 0.8795
269 H76 0.8794
270 SD4 0.8794
271 MET 0.8792
272 RUU 0.8792
273 VAH 0.8791
274 KIV 0.8787
275 IZC 0.8786
276 EDG 0.8785
277 IPB 0.8784
278 5M0 0.8782
279 JBN 0.8782
280 BE7 0.8781
281 C21 0.8781
282 AKB 0.8781
283 2HO 0.8776
284 OTR 0.8775
285 PHB 0.8775
286 XCZ 0.8774
287 FA0 0.8773
288 PHT 0.8773
289 KDF 0.8772
290 P22 0.8771
291 FPI 0.8771
292 TFB 0.8770
293 MED 0.8769
294 AMC 0.8768
295 TPA 0.8767
296 HIS 0.8767
297 OSE 0.8767
298 2A7 0.8766
299 HBA 0.8764
300 069 0.8764
301 54G 0.8763
302 I4B 0.8762
303 DPJ 0.8762
304 K6H 0.8761
305 DYT 0.8760
306 3PG 0.8758
307 PEL 0.8758
308 GLY ASP 0.8756
309 DOB 0.8756
310 FBV 0.8756
311 5HN 0.8755
312 8GC 0.8754
313 LFR 0.8750
314 MSE 0.8749
315 A13 0.8749
316 GGL 0.8749
317 FOC 0.8748
318 HYP 0.8746
319 273 0.8745
320 SYM 0.8745
321 9ON 0.8743
322 1DU 0.8742
323 HBX 0.8741
324 HY1 0.8741
325 C4L 0.8741
326 PEA 0.8740
327 4XR 0.8740
328 KP6 0.8739
329 G4D 0.8738
330 MXN 0.8738
331 ABN 0.8737
332 KTA 0.8735
333 54D 0.8735
334 AS3 0.8733
335 GLY MET 0.8731
336 41K 0.8731
337 EKN 0.8730
338 QIC 0.8728
339 LNO 0.8727
340 9DG 0.8726
341 2PC 0.8724
342 DCO 0.8722
343 GUN 0.8722
344 N2Z 0.8721
345 THE 0.8721
346 GLL 0.8719
347 HMU 0.8718
348 SYN 0.8717
349 9X6 0.8716
350 JFJ 0.8714
351 NPO 0.8713
352 DIG 0.8711
353 23W 0.8711
354 271 0.8710
355 7A8 0.8710
356 APY 0.8710
357 FUB 0.8709
358 TP5 0.8709
359 PRS 0.8709
360 KYD 0.8706
361 FB2 0.8706
362 2FT 0.8706
363 DCD 0.8706
364 FLA 0.8706
365 O7U 0.8705
366 FW5 0.8702
367 XLS 0.8701
368 F69 0.8700
369 IFP 0.8697
370 OK7 0.8696
371 2F6 0.8695
372 SVD 0.8694
373 PYJ 0.8691
374 HYA 0.8691
375 XUL 0.8690
376 5MK 0.8690
377 FBW 0.8688
378 45L 0.8687
379 3HA 0.8685
380 1Y6 0.8682
381 DAL DAL 0.8680
382 HSO 0.8679
383 SYG 0.8677
384 1DV 0.8676
385 IT9 0.8676
386 RSF 0.8674
387 TZC 0.8670
388 4WK 0.8670
389 ACH 0.8669
390 3F0 0.8668
391 23J 0.8668
392 2CO 0.8667
393 HPA 0.8666
394 DHS 0.8666
395 SKG 0.8666
396 P72 0.8665
397 ADA 0.8661
398 4VP 0.8661
399 32O 0.8660
400 S76 0.8657
401 282 0.8656
402 MAK 0.8654
403 MRY 0.8651
404 URS 0.8647
405 QFH 0.8647
406 PAB 0.8645
407 LNR 0.8642
408 13P 0.8642
409 1GP 0.8639
410 FCR 0.8638
411 JF6 0.8635
412 AGK 0.8634
413 ODO 0.8633
414 NBE 0.8633
415 EV0 0.8631
416 SX1 0.8630
417 ONL 0.8629
418 ZZ3 0.8628
419 4MA 0.8627
420 7HP 0.8625
421 ATH 0.8625
422 1MR 0.8624
423 ALO 0.8623
424 PYC 0.8622
425 ADE 0.8622
426 FAN 0.8620
427 XM0 0.8620
428 280 0.8620
429 DTL 0.8616
430 LRH 0.8615
431 SMV 0.8614
432 JZ1 0.8613
433 LER 0.8613
434 UYA 0.8612
435 BRT 0.8612
436 0W8 0.8612
437 791 0.8612
438 152 0.8612
439 GG6 0.8610
440 X0V 0.8608
441 SW7 0.8605
442 OXZ 0.8605
443 LDU 0.8603
444 AW5 0.8602
445 SF9 0.8601
446 1DQ 0.8600
447 EYK 0.8600
448 278 0.8600
449 WTZ 0.8597
450 M4T 0.8596
451 1SA 0.8595
452 NMG 0.8593
453 GIF 0.8592
454 EKZ 0.8592
455 B24 0.8590
456 6M4 0.8588
457 R8V 0.8580
458 KLW 0.8580
459 DBX 0.8579
460 PBZ 0.8572
461 IDM 0.8570
462 24B 0.8569
463 AAS 0.8567
464 Q6T 0.8566
465 SAN 0.8560
466 SEP 0.8558
467 HSM 0.8557
468 DMJ 0.8553
469 GLY GLY 0.8553
470 RBJ 0.8552
471 4SX 0.8541
472 FUC 0.8540
473 285 0.8540
474 G8M 0.8534
475 CDT 0.8529
476 256 0.8525
477 1SP 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NYT; Ligand: PC; 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: 4nyt.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback