Receptor
PDB id Resolution Class Description Source Keywords
1B7A 2.25 Å NON-ENZYME: BINDING STRUCTURE OF THE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN FROM BOVINE BRAIN BOS TAURUS PHOSPHOLIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN FROM BOVINE BRAIN: A NOVEL STRUCTURAL CLASS OF PHOSPHOLIPID-BINDING PROTEINS. STRUCTURE V. 6 1255 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OPE A:1501;
B:2501;
Valid;
Valid;
none;
none;
submit data
141.063 C2 H8 N O4 P C(COP...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B7A 2.25 Å NON-ENZYME: BINDING STRUCTURE OF THE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN FROM BOVINE BRAIN BOS TAURUS PHOSPHOLIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN FROM BOVINE BRAIN: A NOVEL STRUCTURAL CLASS OF PHOSPHOLIPID-BINDING PROTEINS. STRUCTURE V. 6 1255 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1B7A - OPE C2 H8 N O4 P C(COP(=O)(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1B7A - OPE C2 H8 N O4 P C(COP(=O)(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1B7A - OPE C2 H8 N O4 P C(COP(=O)(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OPE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 OPE 1 1
2 PC 0.518519 0.680851
3 EFS 0.5 0.605263
4 1SH 0.464286 0.853659
5 GPE 0.4 0.853659
Similar Ligands (3D)
Ligand no: 1; Ligand: OPE; Similar ligands found: 367
No: Ligand Similarity coefficient
1 A20 1.0000
2 PGA 1.0000
3 COM 0.9759
4 TAU 0.9706
5 CHT 0.9685
6 POA 0.9670
7 MPD 0.9665
8 2HE 0.9653
9 ETM 0.9639
10 LLQ 0.9636
11 TB6 0.9608
12 FCN 0.9601
13 S0H 0.9593
14 CP 0.9577
15 9SB 0.9572
16 SSN 0.9570
17 VX 0.9561
18 7VD 0.9558
19 X1S 0.9556
20 PCT 0.9555
21 P7I 0.9546
22 PAE 0.9529
23 XPO 0.9512
24 8X3 0.9497
25 LEA 0.9494
26 SAT 0.9488
27 G3P 0.9488
28 FJO 0.9458
29 BTL 0.9453
30 3PP 0.9435
31 PAH 0.9432
32 ABU 0.9425
33 PPV 0.9425
34 POP 0.9400
35 H95 0.9394
36 1GP 0.9379
37 VKC 0.9378
38 2PN 0.9366
39 HX2 0.9354
40 SIN 0.9342
41 PEP 0.9341
42 MDN 0.9330
43 ODV 0.9330
44 1SA 0.9296
45 6NA 0.9295
46 BAE 0.9293
47 1DQ 0.9287
48 MLI 0.9268
49 PIS 0.9264
50 MRY 0.9261
51 1SP 0.9259
52 A8C 0.9243
53 NMG 0.9240
54 HSM 0.9230
55 ORN 0.9230
56 FUM 0.9230
57 HTX 0.9228
58 MLA 0.9217
59 FW5 0.9213
60 PLU 0.9208
61 PGH 0.9206
62 G3H 0.9202
63 13P 0.9198
64 MLT 0.9194
65 LEU 0.9192
66 SHO 0.9187
67 GP9 0.9187
68 9YL 0.9184
69 3SL 0.9181
70 69O 0.9177
71 IHG 0.9173
72 SPV 0.9166
73 BUB 0.9166
74 HV2 0.9166
75 4LR 0.9162
76 DAB 0.9162
77 4MV 0.9158
78 SGL 0.9152
79 PPR 0.9146
80 1DU 0.9145
81 IVA 0.9138
82 3SS 0.9138
83 1DV 0.9136
84 HSE 0.9135
85 2EH 0.9135
86 NVA 0.9134
87 PUT 0.9132
88 2RH 0.9130
89 LTL 0.9129
90 MAE 0.9127
91 TEO 0.9125
92 C5J 0.9118
93 LMR 0.9117
94 PRO 0.9116
95 CCD 0.9113
96 FB2 0.9113
97 PEQ 0.9111
98 ASP 0.9107
99 0V5 0.9102
100 GZ3 0.9099
101 MLM 0.9095
102 ILE 0.9093
103 1KA 0.9090
104 3OL 0.9090
105 3OM 0.9090
106 CHH 0.9085
107 HDA 0.9085
108 8K2 0.9084
109 SHF 0.9081
110 49F 0.9079
111 ACH 0.9079
112 THE 0.9075
113 SMV 0.9073
114 ASN 0.9067
115 DAV 0.9063
116 P2D 0.9054
117 NM3 0.9053
118 BXO 0.9049
119 MET 0.9048
120 3HL 0.9045
121 O8Y 0.9043
122 JYD 0.9041
123 IP8 0.9040
124 TZL 0.9039
125 ZBT 0.9039
126 DMG 0.9039
127 PMB 0.9037
128 SRT 0.9036
129 2PC 0.9028
130 DPR 0.9028
131 DQY 0.9026
132 3PY 0.9020
133 HYP 0.9020
134 2KT 0.9016
135 NLE 0.9015
136 MD0 0.9014
137 CYS 0.9014
138 TFB 0.9013
139 AAE 0.9012
140 9X7 0.9010
141 MSF 0.9010
142 HE2 0.9008
143 MED 0.9008
144 ITU 0.9003
145 HCS 0.8997
146 LER 0.8996
147 GLY ALA 0.8994
148 54D 0.8994
149 FSG 0.8994
150 MSE 0.8990
151 9ON 0.8990
152 CCE 0.8990
153 BMD 0.8989
154 ICF 0.8988
155 BUA 0.8984
156 DTL 0.8983
157 G2H 0.8982
158 JBN 0.8981
159 2CO 0.8980
160 TAR 0.8980
161 PE9 0.8979
162 SS1 0.8979
163 KVV 0.8978
164 DAS 0.8977
165 BAL 0.8972
166 3HR 0.8971
167 R67 0.8969
168 03W 0.8967
169 YIV 0.8963
170 OEG 0.8962
171 98J 0.8962
172 CIZ 0.8958
173 DCL 0.8958
174 OKG 0.8958
175 VAL 0.8956
176 IPU 0.8955
177 TLA 0.8952
178 RTK 0.8948
179 PRS 0.8947
180 PG0 0.8946
181 PSE 0.8946
182 SAR 0.8944
183 MTG 0.8942
184 XAP 0.8942
185 AL0 0.8941
186 C21 0.8940
187 PYC 0.8937
188 GG6 0.8936
189 SLP 0.8935
190 KIV 0.8935
191 GLY GLY 0.8934
192 XBT 0.8933
193 JZ5 0.8932
194 129 0.8931
195 BUQ 0.8930
196 XUL 0.8930
197 DSS 0.8929
198 BU4 0.8925
199 2RA 0.8923
200 THR 0.8921
201 GPF 0.8917
202 SER 0.8915
203 TZC 0.8912
204 ETX 0.8911
205 3OH 0.8911
206 CMS 0.8910
207 OAA 0.8906
208 GPJ 0.8903
209 265 0.8902
210 AML 0.8901
211 CSS 0.8901
212 LYN 0.8900
213 7WG 0.8897
214 COI 0.8896
215 4HA 0.8895
216 M58 0.8895
217 TB0 0.8894
218 C2N 0.8893
219 NVI 0.8892
220 KG7 0.8885
221 CYX 0.8883
222 FOA 0.8881
223 TFS 0.8878
224 PAF 0.8876
225 MZW 0.8869
226 MMQ 0.8868
227 IQ0 0.8867
228 273 0.8866
229 BVG 0.8857
230 BEZ 0.8856
231 AMC 0.8855
232 DSN 0.8853
233 3S5 0.8852
234 SPA 0.8849
235 16D 0.8846
236 DTU 0.8845
237 EDG 0.8844
238 EGD 0.8843
239 XYL 0.8842
240 PPF 0.8842
241 DXX 0.8837
242 ABA 0.8831
243 XLS 0.8830
244 LYS 0.8829
245 NLP 0.8826
246 4JU 0.8826
247 3BB 0.8824
248 GLN 0.8824
249 M6W 0.8814
250 BNS 0.8809
251 HYA 0.8808
252 PG3 0.8807
253 AKG 0.8804
254 GLU 0.8800
255 AT3 0.8799
256 NIO 0.8796
257 JAB 0.8795
258 BVC 0.8793
259 TP5 0.8792
260 IZC 0.8792
261 MZ0 0.8791
262 ONL 0.8786
263 MTD 0.8785
264 BHH 0.8782
265 SS2 0.8779
266 DGL 0.8779
267 HZP 0.8778
268 OHG 0.8775
269 AKB 0.8774
270 HVQ 0.8774
271 XRG 0.8774
272 PZI 0.8772
273 BAM 0.8769
274 FBJ 0.8765
275 2MH 0.8764
276 URP 0.8764
277 PYF 0.8763
278 A09 0.8763
279 SYN 0.8762
280 OK7 0.8762
281 DGY 0.8762
282 DLY 0.8758
283 UY7 0.8758
284 5XA 0.8756
285 BP9 0.8754
286 6PC 0.8750
287 EHM 0.8748
288 4SD 0.8744
289 HBX 0.8743
290 HIU 0.8742
291 CXF 0.8738
292 1AB 0.8738
293 GUA 0.8737
294 NBE 0.8737
295 YCP 0.8735
296 FLA 0.8733
297 BHO 0.8733
298 MPH 0.8732
299 2EZ 0.8730
300 T2C 0.8727
301 K6V 0.8726
302 A3B 0.8723
303 PY7 0.8722
304 HY1 0.8719
305 AOA 0.8718
306 DE2 0.8717
307 CNH 0.8716
308 PEA 0.8714
309 DPF 0.8712
310 DBB 0.8710
311 BEN 0.8709
312 FPI 0.8709
313 9X6 0.8708
314 ALO 0.8708
315 SEP 0.8706
316 CFI 0.8706
317 282 0.8704
318 SMB 0.8702
319 PBC 0.8698
320 2AS 0.8694
321 CRN 0.8690
322 IOM 0.8690
323 PEL 0.8687
324 AHR 0.8687
325 PCA 0.8686
326 DCY 0.8685
327 NCA 0.8684
328 FQI 0.8684
329 SR1 0.8684
330 ABN 0.8681
331 FOC 0.8678
332 PZA 0.8669
333 J1Z 0.8667
334 NBZ 0.8665
335 23W 0.8661
336 51F 0.8660
337 14J 0.8659
338 HIO 0.8657
339 SD4 0.8657
340 MAK 0.8655
341 NTN 0.8647
342 APY 0.8645
343 271 0.8640
344 MXN 0.8638
345 MPJ 0.8638
346 UNU 0.8634
347 39J 0.8633
348 0OC 0.8628
349 O7U 0.8623
350 VGL 0.8621
351 3PG 0.8620
352 HIS 0.8613
353 1MR 0.8604
354 TSU 0.8602
355 ISZ 0.8602
356 R1X 0.8597
357 LDU 0.8596
358 PYJ 0.8591
359 SAN 0.8583
360 KMT 0.8582
361 6M4 0.8581
362 MRZ 0.8575
363 2PG 0.8574
364 AG2 0.8572
365 MEQ 0.8564
366 51R 0.8534
367 HBA 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B7A; Ligand: OPE; 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: 1b7a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1B7A; Ligand: OPE; 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: 1b7a.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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