Receptor
PDB id Resolution Class Description Source Keywords
1H8P 1.82 Å NON-ENZYME: BINDING BULL SEMINAL PLASMA PDC-109 FIBRONECTIN TYPE II MODULE BOS TAURUS PHOSPHORYLCHOLINE-BINDING PROTEIN
Ref.: SPERM COATING MECHANISM FROM THE 1.8 A CRYSTAL STRU PDC-109-PHOSPHORYLCHOLINE COMPLEX STRUCTURE V. 10 505 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC A:1110;
A:1111;
B:1110;
B:1111;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H8P 1.82 Å NON-ENZYME: BINDING BULL SEMINAL PLASMA PDC-109 FIBRONECTIN TYPE II MODULE BOS TAURUS PHOSPHORYLCHOLINE-BINDING PROTEIN
Ref.: SPERM COATING MECHANISM FROM THE 1.8 A CRYSTAL STRU PDC-109-PHOSPHORYLCHOLINE COMPLEX STRUCTURE V. 10 505 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1H8P - PC C5 H15 N O4 P C[N+](C)(C....
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 1H8P - PC C5 H15 N O4 P C[N+](C)(C....
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 1H8P - PC C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
4 PQJ 0.418605 0.836735
5 KVV 0.413793 0.804348
Similar Ligands (3D)
Ligand no: 1; Ligand: PC; Similar ligands found: 309
No: Ligand Similarity coefficient
1 NSB 1.0000
2 LEU 1.0000
3 CCD 0.9640
4 4LR 0.9607
5 GPJ 0.9558
6 GPF 0.9557
7 DHM 0.9544
8 CHH 0.9541
9 RTK 0.9538
10 NM3 0.9508
11 IP8 0.9508
12 1X4 0.9482
13 3S5 0.9468
14 AT3 0.9463
15 KVP 0.9456
16 CCE 0.9421
17 NM2 0.9417
18 ACH 0.9411
19 3PG 0.9399
20 HG3 0.9396
21 HPV 0.9395
22 G3P 0.9377
23 FOM 0.9356
24 152 0.9344
25 SG3 0.9342
26 LUQ 0.9338
27 HBU 0.9335
28 DEZ 0.9323
29 SEP 0.9321
30 2JJ 0.9290
31 GVM 0.9285
32 PEP 0.9284
33 OSE 0.9283
34 GUA 0.9283
35 9GB 0.9279
36 1SA 0.9270
37 PPR 0.9254
38 E4P 0.9246
39 PGH 0.9227
40 MF3 0.9210
41 13P 0.9210
42 KPC 0.9208
43 RUJ 0.9205
44 G3H 0.9191
45 TSU 0.9188
46 PGA 0.9185
47 TPO 0.9180
48 1SH 0.9179
49 QFJ 0.9172
50 1GP 0.9165
51 AMS 0.9162
52 MZT 0.9160
53 MES 0.9153
54 AKG 0.9141
55 SAN 0.9141
56 5OY 0.9131
57 QMP 0.9128
58 0V5 0.9127
59 URP 0.9126
60 GZ3 0.9125
61 KMH 0.9122
62 1HS 0.9114
63 LTL 0.9110
64 GP9 0.9106
65 LX1 0.9105
66 129 0.9099
67 OEG 0.9098
68 3SL 0.9096
69 RP3 0.9091
70 449 0.9086
71 4J8 0.9076
72 SPV 0.9061
73 0VT 0.9052
74 PEQ 0.9052
75 GLU 0.9050
76 URO 0.9047
77 OGA 0.9047
78 DER 0.9047
79 DGL 0.9045
80 B85 0.9044
81 FBS 0.9042
82 F98 0.9033
83 3PO 0.9032
84 UN1 0.9020
85 DXP 0.9017
86 2HG 0.9012
87 AAS 0.9006
88 MSL 0.9005
89 2IT 0.9004
90 SYC 0.8990
91 D5X 0.8985
92 2FM 0.8977
93 3HG 0.8976
94 HSX 0.8969
95 HPS 0.8969
96 PMF 0.8969
97 XXG 0.8968
98 SYM 0.8962
99 SIN 0.8961
100 8K2 0.8959
101 AL0 0.8958
102 0L1 0.8958
103 CYX 0.8954
104 DGN 0.8953
105 S2G 0.8951
106 AFS 0.8948
107 HPN 0.8946
108 GLN 0.8945
109 3PP 0.8942
110 2PG 0.8939
111 7BC 0.8937
112 S8V 0.8937
113 GWM 0.8936
114 650 0.8933
115 11C 0.8932
116 ALA ALA 0.8927
117 ZGL 0.8925
118 ACA 0.8925
119 FCR 0.8922
120 9ON 0.8920
121 PLU 0.8913
122 X1S 0.8911
123 EKZ 0.8909
124 GGL 0.8905
125 MLY 0.8904
126 PSE 0.8901
127 NLP 0.8900
128 3YP 0.8896
129 HHI 0.8895
130 DHI 0.8895
131 HSO 0.8888
132 3LR 0.8887
133 HIS 0.8886
134 SME 0.8885
135 AG2 0.8881
136 LFC 0.8880
137 ONL 0.8877
138 B3U 0.8873
139 Q06 0.8866
140 OAA 0.8866
141 R67 0.8864
142 DAL DAL 0.8862
143 AHN 0.8861
144 X0V 0.8861
145 DZA 0.8859
146 M4S 0.8858
147 IVL 0.8858
148 R9M 0.8853
149 8GL 0.8850
150 PMB 0.8846
151 4TB 0.8841
152 MLT 0.8841
153 M45 0.8840
154 FB2 0.8838
155 XIZ 0.8837
156 R52 0.8835
157 CCU 0.8834
158 RES 0.8832
159 FOC 0.8831
160 RP5 0.8824
161 FK8 0.8821
162 2BX 0.8820
163 A5P 0.8820
164 4SX 0.8816
165 DLT 0.8816
166 5XB 0.8813
167 PHB 0.8812
168 DAR 0.8809
169 4FH 0.8808
170 O45 0.8808
171 SOR 0.8807
172 LLQ 0.8807
173 LMR 0.8804
174 Q03 0.8800
175 DYT 0.8796
176 Q9Z 0.8793
177 PAC 0.8793
178 IXW 0.8790
179 PO6 0.8789
180 ICF 0.8789
181 HFA 0.8788
182 5RP 0.8785
183 9YT 0.8782
184 S7A 0.8781
185 COI 0.8778
186 MDN 0.8776
187 TIU 0.8772
188 PAB 0.8772
189 49F 0.8770
190 TIH 0.8769
191 4JC 0.8766
192 GLO 0.8765
193 HCI 0.8762
194 TZP 0.8760
195 RAT 0.8757
196 DAV 0.8753
197 TCA 0.8748
198 HGA 0.8747
199 NPO 0.8744
200 J0Z 0.8742
201 VKC 0.8739
202 GLY GLY 0.8739
203 IFP 0.8737
204 41K 0.8736
205 R5P 0.8735
206 PHE 0.8734
207 BHU 0.8731
208 MTL 0.8727
209 PBZ 0.8727
210 OOG 0.8726
211 ASP 0.8726
212 NF3 0.8724
213 PG3 0.8720
214 4MA 0.8719
215 DLY 0.8718
216 LYS 0.8718
217 DPN 0.8718
218 OKG 0.8715
219 CXP 0.8715
220 DS0 0.8714
221 PAH 0.8713
222 NLE 0.8711
223 9SE 0.8711
224 MAH 0.8710
225 DIR 0.8710
226 URS 0.8710
227 6NA 0.8709
228 KBZ 0.8709
229 ENV 0.8708
230 3QM 0.8708
231 SD4 0.8708
232 GJZ 0.8708
233 1DV 0.8706
234 Q02 0.8701
235 PSJ 0.8700
236 ENW 0.8698
237 IZC 0.8698
238 DHH 0.8696
239 DAS 0.8696
240 TYL 0.8695
241 4HP 0.8693
242 QY9 0.8693
243 CIR 0.8690
244 173 0.8687
245 HTX 0.8686
246 MAJ 0.8684
247 ILO 0.8678
248 1PS 0.8677
249 AC6 0.8677
250 TLA 0.8666
251 MUC 0.8665
252 ORN 0.8664
253 OK7 0.8661
254 SW7 0.8660
255 DHS 0.8658
256 HBD 0.8657
257 TEO 0.8656
258 ARG 0.8655
259 1Y6 0.8653
260 OTR 0.8652
261 API 0.8650
262 PHU 0.8650
263 36E 0.8649
264 TYE 0.8648
265 5XA 0.8648
266 M4T 0.8645
267 HDH 0.8643
268 2D8 0.8643
269 PML 0.8640
270 L14 0.8639
271 4P5 0.8639
272 HX2 0.8635
273 7WG 0.8634
274 51R 0.8634
275 6NT 0.8634
276 GVA 0.8632
277 9RH 0.8631
278 3NY 0.8631
279 ABH 0.8629
280 ONH 0.8628
281 DE5 0.8621
282 K34 0.8618
283 1FD 0.8615
284 FBW 0.8611
285 PBA 0.8611
286 SPA 0.8609
287 INO 0.8609
288 UY7 0.8608
289 FUM 0.8604
290 SRT 0.8603
291 CMS 0.8600
292 HF2 0.8597
293 0HN 0.8594
294 PIM 0.8591
295 DHY 0.8586
296 1BN 0.8580
297 PPY 0.8578
298 PNZ 0.8577
299 EVF 0.8558
300 I4B 0.8553
301 J9N 0.8549
302 K7M 0.8548
303 TPA 0.8543
304 MET 0.8541
305 TEG 0.8540
306 BNF 0.8528
307 8OZ 0.8519
308 5AB 0.8517
309 IOM 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H8P; 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: 1h8p.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H8P; 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: 2) in the query (biounit: 1h8p.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1H8P; 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: 3) in the query (biounit: 1h8p.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1H8P; 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: 4) in the query (biounit: 1h8p.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1H8P; 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: 5) in the query (biounit: 1h8p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1H8P; 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: 6) in the query (biounit: 1h8p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1H8P; 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: 7) in the query (biounit: 1h8p.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1H8P; 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: 8) in the query (biounit: 1h8p.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
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