Receptor
PDB id Resolution Class Description Source Keywords
2ork 1.89 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TRIMERIC NECK AND CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN SURFACTANT PROTEIN D IN C OMPLEX WITH INOSITOL-1-PHOSPHATE HOMO SAPIENS SURFACTANT PROTEIN CARBOHYDRATE RECOGNITION DOMAIN TRIMERIC SUGAR BINDING PROTEIN
Ref.: CRITICAL ROLE OF ARG/LYS343 IN THE SPECIES-DEPENDENT RECOGNITION OF PHOSPHATIDYLINOSITOL BY PULMONARY SURFACTANT PROTEIN D. BIOCHEMISTRY V. 46 5160 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:401;
A:402;
A:403;
B:401;
B:402;
B:403;
C:401;
C:402;
C:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
IPD B:995;
C:995;
Valid;
Valid;
none;
none;
ic50 = 1.4 mM
258.12 C6 H11 O9 P [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GGX 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TRIMER NECK AND CARBOHYDRATE RECOGN DOMAIN OF HUMAN SURFACTANT PROTEIN D IN COMPLEX WITH P-NITRM ALTOSIDE HOMO SAPIENS PROTEIN-CARBOHYDRATE LIGAND COMPLEX SUGAR BINDING PROTEIN
Ref.: CONTRIBUTIONS OF PHENYLALANINE 335 TO LIGAND RECOGN HUMAN SURFACTANT PROTEIN D: RING INTERACTIONS WITH LIGANDS J.BIOL.CHEM. V. 281 18008 2006
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
2 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
3 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
4 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
5 2RIE - 293 C7 H14 O6 C1[C@H]([C....
6 2RIC - GMH GMH n/a n/a
7 3G84 - MAN MAN n/a n/a
8 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
9 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
10 2GGU ic50 = 0.94 mM GLC GLC GLC n/a n/a
11 3G83 - MAN MAN n/a n/a
12 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 5OXS - K5B GMH GMH GLC n/a n/a
6 5OXR - K5B GMH GMH n/a n/a
7 3IKN - GAL C6 H12 O6 C([C@@H]1[....
8 4DN8 - BMA C6 H12 O6 C([C@@H]1[....
9 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
10 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
11 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
12 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
13 2RIE - 293 C7 H14 O6 C1[C@H]([C....
14 2RIC - GMH GMH n/a n/a
15 3G84 - MAN MAN n/a n/a
16 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
17 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
18 2GGU ic50 = 0.94 mM GLC GLC GLC n/a n/a
19 3G83 - MAN MAN n/a n/a
20 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 5OXS - K5B GMH GMH GLC n/a n/a
6 5OXR - K5B GMH GMH n/a n/a
7 3IKN - GAL C6 H12 O6 C([C@@H]1[....
8 2MSB Ki = 1.3 mM NAG BMA MAN MAN MAN MAN MAN n/a n/a
9 4DN8 - BMA C6 H12 O6 C([C@@H]1[....
10 1AFB - NGA C8 H15 N O6 CC(=O)N[C@....
11 1KWW - MFU C7 H14 O5 C[C@H]1[C@....
12 1KX0 - MAN MAN n/a n/a
13 1KWY - MAN MAN n/a n/a
14 1FIH - NGA C8 H15 N O6 CC(=O)N[C@....
15 4KMB - MAG FUC G4S n/a n/a
16 1BCH - NGA C8 H15 N O6 CC(=O)N[C@....
17 1KWV - NAG C8 H15 N O6 CC(=O)N[C@....
18 1BCJ Kd = 0.2 mM NGA C8 H15 N O6 CC(=O)N[C@....
19 1KWX - MFB C7 H14 O5 C[C@H]1[C@....
20 1KWU - MMA C7 H14 O6 CO[C@@H]1[....
21 1KWZ - MAN MAN n/a n/a
22 1AFA - MBG C7 H14 O6 CO[C@H]1[C....
23 3KMB - FUC C6 H12 O5 C[C@H]1[C@....
24 2KMB - NAG GAL SIA FUC n/a n/a
25 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
26 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
27 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
28 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
29 2RIE - 293 C7 H14 O6 C1[C@H]([C....
30 2RIC - GMH GMH n/a n/a
31 3G84 - MAN MAN n/a n/a
32 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
33 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
34 2GGU ic50 = 0.94 mM GLC GLC GLC n/a n/a
35 3G83 - MAN MAN n/a n/a
36 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
37 6RYM - NDG C8 H15 N O6 CC(=O)N[C@....
38 6RYN - GN1 C8 H16 N O9 P CC(=O)N[C@....
39 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
40 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
41 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
42 1KZC - MAN C6 H12 O6 C([C@@H]1[....
43 1KZA - MAN C6 H12 O6 C([C@@H]1[....
44 1KZE - MAN C6 H12 O6 C([C@@H]1[....
45 1RDN Ki = 14.4 mM NDG C8 H15 N O6 CC(=O)N[C@....
46 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
47 1KZB - MAN C6 H12 O6 C([C@@H]1[....
48 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
49 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IPD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 LIP 1 1
2 IPD 1 1
3 I4D 0.571429 0.9
4 ITP 0.451613 0.870968
5 IP2 0.433333 0.870968
6 2IP 0.413793 0.870968
Similar Ligands (3D)
Ligand no: 1; Ligand: IPD; Similar ligands found: 438
No: Ligand Similarity coefficient
1 YO5 0.9486
2 3LJ 0.9464
3 6HP 0.9341
4 GFP 0.9318
5 BGP 0.9302
6 NBG 0.9269
7 GP1 0.9267
8 GRX 0.9216
9 GLP 0.9212
10 G1P 0.9206
11 57O 0.9205
12 QMS 0.9181
13 G6P 0.9152
14 CR1 0.9144
15 M3Q 0.9138
16 LAO 0.9131
17 GL6 0.9122
18 BG6 0.9114
19 6DP 0.9114
20 EXD 0.9111
21 4R1 0.9102
22 IOS 0.9102
23 PMP 0.9101
24 EMZ 0.9100
25 68A 0.9094
26 790 0.9087
27 9GP 0.9086
28 SG2 0.9075
29 MQG 0.9072
30 PA5 0.9071
31 BNX 0.9070
32 CCV 0.9060
33 NCV 0.9058
34 KGK 0.9031
35 M6P 0.9029
36 L7T 0.9024
37 JV4 0.9021
38 F5C 0.9016
39 GPM 0.9013
40 JF2 0.9012
41 NAG 0.9007
42 JP2 0.9006
43 EVF 0.9005
44 PLP 0.9005
45 M6D 0.8998
46 ARP 0.8997
47 PLR 0.8996
48 8U3 0.8995
49 MP5 0.8993
50 PXP 0.8992
51 NDG 0.8990
52 APS 0.8988
53 IBM 0.8983
54 3RI 0.8982
55 9KH 0.8979
56 QIF 0.8977
57 HBO 0.8973
58 AY4 0.8971
59 X04 0.8970
60 2CZ 0.8970
61 LZ2 0.8967
62 FWD 0.8965
63 X1P 0.8955
64 V1T 0.8952
65 R1P 0.8951
66 2O6 0.8948
67 GDL 0.8948
68 PLP PMP 0.8948
69 PZP 0.8948
70 HPT 0.8948
71 T6Z 0.8946
72 0FK 0.8941
73 ZON 0.8940
74 4KL 0.8939
75 N2M 0.8936
76 GO8 0.8935
77 CWD 0.8934
78 ALN 0.8933
79 KYA 0.8925
80 GL1 0.8916
81 NBV 0.8915
82 SKF 0.8913
83 P0P 0.8912
84 X0T 0.8911
85 5NS 0.8911
86 LP8 0.8909
87 61M 0.8908
88 NPA 0.8902
89 DNC 0.8902
90 JTH 0.8900
91 CPW 0.8897
92 DHY 0.8897
93 KJ5 0.8896
94 STT 0.8896
95 1QV 0.8895
96 XFE 0.8891
97 36E 0.8890
98 I59 0.8888
99 7MX 0.8888
100 F6P 0.8887
101 KTW 0.8886
102 GNM 0.8885
103 4RU 0.8879
104 L21 0.8879
105 IL5 0.8876
106 2JK 0.8875
107 5OF 0.8873
108 GC2 0.8872
109 IPT 0.8869
110 UFV 0.8868
111 E7R 0.8863
112 NQH 0.8862
113 ESI 0.8861
114 MIG 0.8860
115 DX3 0.8860
116 ALX 0.8855
117 HHS 0.8851
118 XXG 0.8848
119 EXL 0.8847
120 4SX 0.8844
121 BM3 0.8844
122 IAC 0.8842
123 TSR 0.8840
124 MAJ 0.8838
125 EGR 0.8838
126 2LT 0.8838
127 HA5 0.8836
128 4OG 0.8835
129 54X 0.8835
130 SYE 0.8828
131 0JD 0.8828
132 NGA 0.8826
133 289 0.8825
134 5GT 0.8823
135 30G 0.8822
136 7ME 0.8822
137 NPL 0.8821
138 2FG 0.8819
139 3DT 0.8816
140 A2G 0.8816
141 ZEC 0.8816
142 8NX 0.8816
143 GJP 0.8812
144 2GQ 0.8811
145 HQD 0.8811
146 0W1 0.8811
147 5WU 0.8809
148 HSX 0.8808
149 P84 0.8807
150 AX3 0.8806
151 UFO 0.8806
152 505 0.8806
153 M5H 0.8806
154 4XV 0.8805
155 B4O 0.8805
156 ANC 0.8804
157 3C4 0.8802
158 S0G 0.8800
159 BPU 0.8800
160 MAG 0.8799
161 4GP 0.8796
162 RP5 0.8795
163 ABF 0.8791
164 6QF 0.8788
165 CLZ 0.8787
166 7I2 0.8787
167 JR2 0.8786
168 BY5 0.8785
169 FF2 0.8785
170 BBK 0.8783
171 DNA 0.8783
172 8XQ 0.8782
173 0XT 0.8779
174 K68 0.8778
175 5TY 0.8777
176 SY4 0.8776
177 2K8 0.8776
178 HHR 0.8775
179 ZYQ 0.8775
180 3J8 0.8775
181 ZYV 0.8775
182 LTN 0.8774
183 HBI 0.8774
184 NLA 0.8768
185 8HC 0.8768
186 TRP 0.8766
187 0F9 0.8765
188 15L 0.8763
189 MXD 0.8762
190 149 0.8760
191 GAL 0.8759
192 ESX 0.8758
193 JVA 0.8758
194 CTE 0.8758
195 SIZ 0.8757
196 9BF 0.8757
197 27B 0.8756
198 FDR 0.8756
199 DHC 0.8756
200 5RO 0.8756
201 8W9 0.8755
202 H5B 0.8754
203 344 0.8752
204 F2W 0.8752
205 BDP 0.8752
206 CSN 0.8752
207 PH2 0.8751
208 GCU 0.8751
209 GI3 0.8749
210 4XS 0.8748
211 YOF 0.8746
212 1A7 0.8746
213 JG8 0.8745
214 BPY 0.8744
215 4MU 0.8744
216 NFM 0.8743
217 G12 0.8743
218 FLV 0.8742
219 92P 0.8741
220 ZIQ 0.8741
221 UQ1 0.8741
222 15N 0.8740
223 KMY 0.8740
224 GDE 0.8739
225 9AP 0.8738
226 GF1 0.8738
227 ZPF 0.8738
228 1HN 0.8737
229 ESP 0.8737
230 DAH 0.8736
231 1F1 0.8736
232 11G 0.8735
233 2FQ 0.8734
234 B41 0.8734
235 IBC 0.8733
236 67Y 0.8732
237 TQU 0.8732
238 JYT 0.8730
239 9ZE 0.8726
240 X0V 0.8725
241 3Y7 0.8725
242 NVU 0.8724
243 KED 0.8724
244 0N7 0.8724
245 M1Z 0.8724
246 9PY 0.8724
247 GI1 0.8723
248 KG1 0.8723
249 MUR 0.8723
250 LDR 0.8722
251 MQB 0.8720
252 KF5 0.8720
253 SLS 0.8719
254 TIY 0.8717
255 KFH 0.8716
256 OX2 0.8716
257 GXD 0.8716
258 NOK 0.8715
259 BZJ 0.8715
260 2KU 0.8715
261 8S0 0.8713
262 3VX 0.8710
263 CLU 0.8709
264 9F8 0.8706
265 8XL 0.8706
266 BK9 0.8705
267 K97 0.8705
268 EV2 0.8705
269 7AP 0.8703
270 AMR 0.8701
271 6ME 0.8699
272 NIY 0.8697
273 BZ2 0.8697
274 HRM 0.8697
275 8GK 0.8696
276 K3Q 0.8694
277 H2B 0.8693
278 96R 0.8693
279 EUE 0.8691
280 GLA 0.8691
281 DDU 0.8690
282 0HN 0.8690
283 N1E 0.8689
284 CKA 0.8687
285 657 0.8684
286 BGC 0.8682
287 7MK 0.8681
288 3D1 0.8680
289 GWM 0.8680
290 OSB 0.8679
291 GCB 0.8679
292 ZYR 0.8679
293 S0E 0.8679
294 EXR 0.8679
295 THM 0.8678
296 SRO 0.8677
297 EVA 0.8676
298 GTR 0.8676
299 DJN 0.8676
300 S3C 0.8676
301 GTZ 0.8675
302 RH1 0.8673
303 YTX 0.8671
304 9R5 0.8669
305 JND 0.8669
306 7WR 0.8668
307 C2Y 0.8668
308 ANF 0.8666
309 9FE 0.8666
310 BA5 0.8663
311 H4B 0.8663
312 0J5 0.8662
313 22L 0.8661
314 M1P 0.8661
315 K25 0.8661
316 0HO 0.8660
317 428 0.8660
318 TLM 0.8660
319 R9Y 0.8658
320 6NT 0.8657
321 M4B 0.8654
322 IOP 0.8654
323 JXZ 0.8654
324 JXK 0.8654
325 VXX 0.8652
326 6FZ 0.8649
327 A1Y 0.8648
328 89J 0.8648
329 3ZB 0.8648
330 8WT 0.8647
331 ONR 0.8647
332 977 0.8647
333 NTF 0.8646
334 OA3 0.8646
335 CUH 0.8646
336 9FL 0.8646
337 JAW 0.8646
338 PFB 0.8645
339 S8A 0.8645
340 9UL 0.8645
341 MMS 0.8644
342 ICB 0.8644
343 MOK 0.8643
344 BNT 0.8643
345 2KA 0.8642
346 BGU 0.8642
347 SYA 0.8641
348 DHK 0.8641
349 6J9 0.8640
350 P7Y 0.8640
351 CHQ 0.8640
352 GLC 0.8639
353 SNG 0.8639
354 FXH 0.8637
355 JF4 0.8637
356 ADA 0.8635
357 9H2 0.8635
358 JTA 0.8635
359 M78 0.8635
360 363 0.8632
361 JY2 0.8632
362 2ZM 0.8630
363 DRG 0.8627
364 3A9 0.8627
365 TU0 0.8626
366 5V7 0.8625
367 MIF 0.8625
368 8VR 0.8625
369 N3W 0.8624
370 DPT 0.8624
371 N7I 0.8623
372 S7B 0.8623
373 67X 0.8622
374 8NB 0.8621
375 WS7 0.8621
376 3GC 0.8621
377 L1Q 0.8620
378 PRZ 0.8620
379 GNV 0.8619
380 BIO 0.8619
381 Z5P 0.8618
382 GF4 0.8618
383 TSS 0.8617
384 X0U 0.8615
385 ALE 0.8612
386 MUX 0.8612
387 LJ3 0.8609
388 A5P 0.8609
389 AC2 0.8608
390 DY5 0.8608
391 KFN 0.8607
392 2H5 0.8607
393 3QV 0.8601
394 MNS 0.8600
395 ROI 0.8597
396 E1K 0.8591
397 512 0.8590
398 LDP 0.8589
399 49N 0.8588
400 MBG 0.8588
401 CXH 0.8584
402 1GN 0.8584
403 CKU 0.8583
404 4BY 0.8583
405 QMR 0.8581
406 28N 0.8581
407 WUB 0.8580
408 Q71 0.8578
409 S7A 0.8577
410 DNF 0.8576
411 QZ8 0.8576
412 4ME 0.8574
413 N2I 0.8573
414 MPK 0.8572
415 HHT 0.8571
416 6FB 0.8570
417 3N1 0.8566
418 AIN 0.8565
419 3NY 0.8562
420 N91 0.8560
421 SYR 0.8559
422 JF1 0.8559
423 6ZW 0.8552
424 I2E 0.8550
425 JB8 0.8549
426 XQI 0.8545
427 5VL 0.8542
428 EN1 0.8540
429 LNR 0.8539
430 X0W 0.8538
431 ONZ 0.8537
432 5NI 0.8537
433 DQA 0.8537
434 W8G 0.8534
435 2F8 0.8534
436 ABI 0.8527
437 X48 0.8524
438 209 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GGX; Ligand: NPJ; 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: 2ggx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GGX; Ligand: NPJ; 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: 2ggx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GGX; Ligand: NPJ; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 2ggx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2OX9 NAG FUC GAL 43.5714
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