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Receptor
PDB id Resolution Class Description Source Keywords
1T27 2.2 Å NON-ENZYME: BINDING THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE RATTUS NORVEGICUS LIPID BINDING PROTEIN
Ref.: STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE J.BIOL.CHEM. V. 276 9246 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCW A:501;
Valid;
none;
submit data
787.121 C44 H85 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T27 2.2 Å NON-ENZYME: BINDING THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE RATTUS NORVEGICUS LIPID BINDING PROTEIN
Ref.: STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE J.BIOL.CHEM. V. 276 9246 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
2 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1T27 - PCW C44 H85 N O8 P CCCCCCCCC=....
2 2A1L - PCW C44 H85 N O8 P CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCW; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 PCW 1 1
2 PSC 0.884615 1
3 6PL 0.871429 0.981481
4 PC7 0.871429 0.981481
5 LIO 0.871429 0.981481
6 PLD 0.871429 0.981481
7 HGX 0.871429 0.981481
8 HGP 0.871429 0.981481
9 LOP 0.826667 0.79661
10 6OU 0.826667 0.79661
11 L9Q 0.826667 0.79661
12 XP5 0.816901 0.981481
13 ZPE 0.782051 0.79661
14 L9R 0.7625 0.925926
15 POV 0.7625 0.925926
16 PCK 0.753086 0.929825
17 D3D 0.746835 0.706897
18 PGW 0.746835 0.706897
19 DR9 0.7375 0.706897
20 PGV 0.7375 0.706897
21 P6L 0.728395 0.706897
22 GP7 0.72619 0.79661
23 42H 0.721519 0.964286
24 D21 0.72 0.732143
25 OZ2 0.719512 0.706897
26 P50 0.719512 0.762712
27 PEF 0.706667 0.779661
28 PTY 0.706667 0.779661
29 PEV 0.706667 0.779661
30 PEH 0.706667 0.779661
31 8PE 0.706667 0.779661
32 9PE 0.697368 0.779661
33 PEK 0.682353 0.79661
34 PEE 0.675325 0.79661
35 B7N 0.670588 0.66129
36 DLP 0.659091 0.925926
37 MC3 0.65 0.907407
38 PC1 0.65 0.907407
39 PCF 0.65 0.907407
40 CD4 0.649351 0.714286
41 EPH 0.634409 0.79661
42 LHG 0.632911 0.689655
43 PGT 0.632911 0.689655
44 PIE 0.625 0.645161
45 P5S 0.617284 0.733333
46 LPC 0.607595 0.946429
47 LP3 0.607595 0.946429
48 LAP 0.607595 0.946429
49 P3A 0.606742 0.706897
50 3PH 0.6 0.714286
51 7PH 0.6 0.714286
52 6PH 0.6 0.714286
53 LPP 0.6 0.714286
54 F57 0.6 0.714286
55 7P9 0.592105 0.714286
56 PX2 0.592105 0.759259
57 PX8 0.592105 0.759259
58 CN3 0.588235 0.714286
59 OPC 0.571429 0.981818
60 PII 0.564706 0.645161
61 CN6 0.564706 0.714286
62 PIZ 0.561798 0.645161
63 PGK 0.555556 0.655738
64 PD7 0.552632 0.714286
65 T7X 0.552083 0.66129
66 PIF 0.551724 0.634921
67 IP9 0.550562 0.645161
68 3PE 0.547619 0.741379
69 44G 0.54321 0.689655
70 CDL 0.542169 0.709091
71 3XU 0.537634 0.825397
72 DGG 0.537634 0.655738
73 M7U 0.535714 0.714286
74 PIO 0.533333 0.634921
75 52N 0.533333 0.634921
76 PSF 0.53012 0.733333
77 43Y 0.525641 0.944444
78 S12 0.516854 0.733333
79 NKP 0.512195 0.701754
80 PDK 0.509804 0.765625
81 44E 0.506494 0.714286
82 PC5 0.5 0.810345
83 SPU 0.5 0.819672
84 8ND 0.5 0.603448
85 AGA 0.488636 0.689655
86 3PC 0.477273 0.888889
87 LPE 0.418605 0.892857
88 CN5 0.406593 0.732143
89 NKN 0.402439 0.684211
90 NKO 0.402439 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T27; Ligand: PCW; Similar sites found with APoc: 452
This union binding pocket(no: 1) in the query (biounit: 1t27.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 4WG0 CHD None
3 1UUY PPI None
4 4ZSI 4R1 None
5 5JSP DQY None
6 6CS9 PIO None
7 1DZK PRZ None
8 4ZSI GLP None
9 1OGX EQU None
10 5TWO 7MV 1.10701
11 5NBP BGC BGC BGC 1.10701
12 4C01 QY9 1.10701
13 3DG6 MUC 1.10701
14 2Q8G AZX 1.47601
15 5LHT TIH 1.47601
16 1SDW IYT 1.47601
17 5V3Y 5V8 1.47601
18 1GP6 DH2 1.84502
19 1GP6 SIN 1.84502
20 1GP6 QUE 1.84502
21 3PXP MYR 1.84502
22 5T4J PLP ABU 1.84502
23 4TQ3 GPP 1.84502
24 6BR9 PGV 1.84502
25 3BJC WAN 1.84502
26 3WIR BGC 1.84502
27 6BR9 6OU 1.84502
28 2X24 X24 1.84502
29 5J75 6GQ 1.89394
30 4MPO AMP 1.96078
31 6BR8 PGV 1.98413
32 6BR8 6OU 1.98413
33 6AYI C3G 2.01005
34 5ML3 DL3 2.01342
35 2GWH PCI 2.21402
36 1OIJ AKG 2.21402
37 5X7Q GLC GLC GLC GLC GLC 2.21402
38 5EY0 GTP 2.21402
39 5X7Q GLC GLC GLC GLC 2.21402
40 5X7Q ACR 2.21402
41 1Z03 OCH 2.21402
42 2RH1 CLR 2.21402
43 4JZX 476 2.21402
44 3H4L ANP 2.21402
45 5OLK DTP 2.21402
46 4JZB P2H 2.21402
47 3SLS 77D 2.21402
48 4XRZ SI6 2.21402
49 2RH1 CAU 2.21402
50 5B25 4QJ 2.21402
51 4DOL PLM 2.30415
52 4BPZ GLC BGC BGC 2.34375
53 4NPL AKG 2.4
54 2IUW AKG 2.52101
55 6D61 4AA 2.5641
56 5O9W AKG 2.58303
57 6CB2 OLC 2.58303
58 4LIT AKG 2.58303
59 5CX8 RP3 2.58303
60 2OVW CBI 2.58303
61 3O2K DST 2.58303
62 3A16 PXO 2.58303
63 5CX8 TG6 2.58303
64 1URX AAL GAL AAL GLA 2.58303
65 4MZU TYD 2.58303
66 2R5V HHH 2.58303
67 4J0M BLD 2.58303
68 2HZL PYR 2.58303
69 3W54 RNB 2.58303
70 3GL0 HXX 2.58303
71 3PQB VGP 2.58303
72 2OBD 2OB 2.58303
73 4LA7 A1O 2.59067
74 1YYE 196 2.61194
75 4YUS FMN 2.6178
76 5JNN 6LM 2.63158
77 5DXE EST 2.68199
78 5WGQ EST 2.68199
79 5DXG EST 2.68199
80 5DX3 EST 2.68199
81 5HYR EST 2.71318
82 5UR6 8KM 2.76243
83 4WVO 3UZ 2.76243
84 2BJ4 OHT 2.77778
85 5X5M 7YU 2.77778
86 5AAV GW5 2.77778
87 5A67 3PO 2.83019
88 1R6N 434 2.8436
89 5MN0 A8S 2.87081
90 2HZQ STR 2.87356
91 4JH6 FCN 2.89855
92 1U3R 338 2.90456
93 2YJD YJD 2.91667
94 4J24 EST 2.91667
95 2BYC FMN 2.91971
96 1TV5 N8E 2.95203
97 5LUN OGA 2.95203
98 3FW9 SLX 2.95203
99 4MOB ADP 2.95203
100 1H2M OGA 2.95203
101 5EEH P9P 2.95203
102 2Y0I AKG 2.95203
103 3P3N AKG 2.95203
104 1UBY DMA 2.95203
105 5AHS COA 2.95203
106 3HR1 PF9 2.95203
107 1ZB6 DIN 2.95203
108 3KO0 TFP 2.9703
109 5FQK 6NT 2.97398
110 4JHG ZEA 2.97619
111 4RHP PEF 2.97872
112 3DZ6 PUT 2.99625
113 5MOB A8S 3.01724
114 5E2N V14 3.04183
115 4XCB AKG 3.06513
116 4XCB HY0 3.06513
117 4IBF 1D5 3.10078
118 4FE2 ASP 3.13725
119 3W9R A8S 3.1746
120 5YBN AKG 3.18471
121 3RY9 1CA 3.2
122 4K55 H6P 3.22581
123 2OKL BB2 3.24324
124 3E2M E2M 3.24324
125 5UNJ RJW 3.26531
126 3ZGJ RMN 3.32103
127 2JC9 ADN 3.32103
128 5DQ8 FLF 3.32103
129 5I49 2KH 3.32103
130 1J78 VDY 3.32103
131 1P1M MET 3.32103
132 4M1U A2G MBG 3.32103
133 3K5X P8D 3.32103
134 2CIX CEJ 3.32103
135 2CM4 RCL 3.33333
136 1I06 TZL 3.33333
137 1DKF BMS 3.43348
138 1DKF OLA 3.43348
139 1QY1 PRZ 3.44828
140 4J25 OGA 3.49345
141 5I0U DCY 3.5
142 1RV1 IMZ 3.52941
143 1MT1 AG2 3.53982
144 6CZI 38E 3.57143
145 5W10 CMP 3.58974
146 4OCT AKG 3.6036
147 5MTE BB2 3.64964
148 3JU6 ANP 3.69004
149 5AZC PGT 3.69004
150 6EZ6 C5Z 3.69004
151 4MLO PAM 3.69004
152 4G8R 96P 3.69004
153 1SO2 666 3.69004
154 4RKK GLC GLC GLC GLC GLC GLC 3.69004
155 1GQG DCD 3.69004
156 1OS7 TAU 3.69004
157 1OS7 AKG 3.69004
158 3KFF ZBT 3.7037
159 3KFF XBT 3.7037
160 1KQW RTL 3.73134
161 5F5R ANP 3.78151
162 1QIN GIP 3.82514
163 4RFR RHN 3.94089
164 4F4S EFO 3.94737
165 2BWA GLC BGC 3.96476
166 5L9V OGA 3.96825
167 5L9B AKG 3.96825
168 5OX6 A1Z 3.96825
169 2VQ5 HBA 3.9801
170 3G08 FEE 4.0404
171 5UC1 486 4.05405
172 1VRP ADP 4.05904
173 1VRP IOM 4.05904
174 5KO1 6UY 4.05904
175 3KV5 OGA 4.05904
176 6E08 NAP 4.05904
177 3ER9 3AT 4.05904
178 3HQR OGA 4.06504
179 3AQT RCO 4.08163
180 5OCA 9QZ 4.20168
181 1J3R 6PG 4.21053
182 4WOH 4NP 4.21687
183 3SJ0 DXC 4.22535
184 1I82 BGC BGC 4.2328
185 5KAU RHQ 4.24242
186 2GC0 PAN 4.25532
187 6FE1 V14 4.28016
188 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.34783
189 3F81 STT 4.37158
190 4E2J MOF 4.4
191 1GT4 UNA 4.40252
192 3NMV PYV 4.42804
193 5C3R HMU 4.42804
194 5C3R AKG 4.42804
195 4OIC A8S 4.42804
196 1ITW ICT 4.42804
197 1NHZ 486 4.42804
198 2VFT SOR 4.42804
199 3SP6 IL2 4.42804
200 4S00 AKR 4.42804
201 2VAT COA 4.42804
202 5MW8 ATP 4.42804
203 2WQN ADP 4.42804
204 5G5W R8C 4.42804
205 1Y7P RIP 4.4843
206 1YP0 PEF 4.60251
207 3L1N PLM 4.63918
208 1M2Z BOG 4.66926
209 4YGF AZM 4.70085
210 3BQD DAY 4.70588
211 4ZU4 4TG 4.72973
212 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 4.7619
213 3O01 DXC 4.79705
214 3HYW DCQ 4.79705
215 6FXR AKG 4.79705
216 4UBS DIF 4.79705
217 3I53 SAH 4.79705
218 1ODM ASV 4.79705
219 2WNF CG3 A2G GAL 4.79705
220 3B00 16A 4.79705
221 6B21 C9V 4.79705
222 3NNT DQA 4.79705
223 6CI7 ACP 4.79705
224 3RGA LSB 4.947
225 2V5E SCR 4.9505
226 5K21 6QF 4.96454
227 5XJ7 87O 4.97512
228 1SR7 MOF 5.01931
229 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.02092
230 1SU2 ATP 5.03145
231 4MNS 2AX 5.03145
232 4OAR 2S0 5.03876
233 2E27 AB0 5.04202
234 3WW2 LPK 5.07812
235 3WW2 SF6 5.07812
236 2E3N 6CM 5.09804
237 1KSK URA 5.12821
238 1H8S AIC 5.15873
239 5LX9 OLB 5.16605
240 4QDF 30Q 5.16605
241 1ZED PNP 5.16605
242 4YVN EBS 5.16605
243 3B99 U51 5.16605
244 6GN6 MAL 5.16605
245 4BG1 IVL 5.16605
246 4BG1 OGA 5.16605
247 5NKN LOC 5.17241
248 6GNO XDI 5.18518
249 1NKI PPF 5.18518
250 5XEG AKG 5.19481
251 2Q1H AS4 5.2
252 2YG2 S1P 5.23256
253 2YG2 FLC 5.23256
254 1YC4 43P 5.30303
255 1NF8 BOG 5.31401
256 1N5S ADL 5.35714
257 1ZM1 BGC BGC BGC 5.39419
258 1N46 PFA 5.42636
259 1MH5 HAL 5.47945
260 1F3D TPM 5.52995
261 5FPN KYD 5.53506
262 5YJS SAL 5.53506
263 5KD6 6C7 5.53506
264 1YKD CMP 5.53506
265 3THR C2F 5.53506
266 2AGC DAO 5.55556
267 5AIG VPR 5.6
268 5NBW 8SK 5.60748
269 2Z93 END 5.6338
270 5XQW 8EU 5.6872
271 5DCH 1YO 5.72917
272 4ZGM 32M 5.7377
273 4HBM 0Y7 5.83333
274 4L4J NAG NAG BMA MAN NAG 5.88235
275 2BOS GLA GAL GLC 5.88235
276 2UW1 GVM 5.90406
277 1UMZ BGC BGC XYS BGC XYS GAL 5.90406
278 3JQ3 ADP 5.90406
279 3HP9 CF1 5.90406
280 4YZ5 SLT 5.90406
281 6H8S FSZ 5.90406
282 2OZ5 7XY 5.90406
283 5N87 N66 5.90406
284 4IJP 1EH 5.90406
285 3MTX PGT 5.96026
286 1MEX RAC 6.10329
287 5V4R MGT 6.17284
288 5UC9 MYR 6.19469
289 3VV1 GAL FUC 6.25
290 5OKL PAM 6.27306
291 4OJ8 AKG 6.27306
292 2XXP DSL 6.27306
293 5Z46 GST 6.27306
294 2OG7 SIN 6.27306
295 6B2M COA 6.27306
296 1KGI T4A 6.29921
297 5LNW HG3 6.32911
298 5LNW RP5 6.32911
299 4IAW LIZ 6.38298
300 1OGZ EQU 6.4
301 2ET1 GLV 6.46766
302 1Y2F WAI 6.47482
303 1TO9 HMH 6.53846
304 4P5Y NGA 6.58683
305 5FU3 BGC BGC BGC 6.60377
306 4H6B 10Y 6.66667
307 1DMY AZM 6.85484
308 4ZU5 THM 6.94444
309 1OW4 2AN 6.97674
310 3TDC 0EU 7.01107
311 3NNF AKG 7.01107
312 6B9R 2HE 7.01107
313 1ZPD CIT 7.01107
314 5ZKC 3C0 7.01107
315 4MA7 P2Z 7.01754
316 3SCH TB6 7.07071
317 1ZZ7 S0H 7.07071
318 5NCJ SIN 7.08955
319 4RYV ZEA 7.09677
320 3FAL REA 7.14286
321 5TPU TYD 7.19424
322 5CHR 4NC 7.29927
323 5W7B MYR 7.38007
324 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.38007
325 4QM9 CYS 7.38007
326 3G58 988 7.38007
327 3SDV 911 7.38007
328 6BTN E8M 7.42574
329 3BXO UPP 7.53138
330 3ZCB ATP 7.57576
331 3X01 AMP 7.63359
332 3JRS A8S 7.69231
333 5B09 4MX 7.69231
334 2BCG GER 7.76699
335 1V9T SIN ALA PRO ALA NIT 7.83133
336 5TPV TYD 7.84314
337 3KDJ A8S 7.92079
338 4HN1 TYD 7.9602
339 2WOR 2AN 8
340 3SHZ 5CO 8.06916
341 3M3E GAL A2G NPO 8.07453
342 5ACM MBT 8.10811
343 5M37 9SZ 8.26087
344 2P7Q GG6 8.27068
345 5F6U 5VK 8.28025
346 5M36 9SZ 8.29694
347 4DXJ 0M9 8.48709
348 3B6R ADP 8.48709
349 1XVB 3BR 8.48709
350 3TTY GLA 8.48709
351 4D06 NAR 8.48709
352 5N7O 69Y 8.59729
353 1NYW DAU 8.62944
354 3VQ2 LP4 LP5 MYR DAO 8.85609
355 2GQR ADP 8.86076
356 3QRC SCR 8.9172
357 4OGQ 1O2 8.93855
358 4OGQ 7PH 8.93855
359 4OGQ UMQ 8.93855
360 1OPB RET 8.95522
361 5C9J DAO 9.09091
362 5OSW DIU 9.22509
363 3WDX BGC BGC GLC 9.22509
364 2YOO K2B 9.22509
365 1DTL BEP 9.31677
366 4WUJ FMN 9.52381
367 2GSU AMP 9.5941
368 2E56 MYR 9.72222
369 5BU3 4W9 9.78261
370 2HKA C3S 10
371 2GBB CIT 10.2564
372 3B6C SDN 10.2564
373 1BHX ASP PHE GLU GLU ILE 10.4762
374 2GJ5 VD3 10.4938
375 5TFZ 7BC 10.6667
376 6BU0 IHP 10.687
377 5H9P TD2 10.7595
378 2VWA PTY 10.8911
379 4QCK ASD 11.0701
380 6EOM ALA LYS 11.0701
381 1X0P FAD 11.1888
382 5LWY OLB 11.215
383 5KWY C3S 11.2782
384 4DE3 DN8 11.4068
385 4DE2 DN3 11.4068
386 4WOE ADP 11.4391
387 1LFO OLA 11.7188
388 3N0Y APC 11.7318
389 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 11.7647
390 1OJK GLC BGC 11.8081
391 1OJJ GLC GAL 11.8081
392 5JO1 6LM 11.8919
393 3F8C HT1 11.9048
394 3KP6 SAL 11.9205
395 4DS8 A8S 11.9617
396 3OJI PYV 12.1693
397 1NU4 MLA 12.3711
398 5FPX GLY SER SER HIS HIS HIS HIS HIS 12.3894
399 5CX6 CDP 12.5461
400 5I8F ML1 12.7273
401 4IMO PWZ 13.0682
402 2PRG BRL 13.6364
403 5ZZA LAB 13.6531
404 1Q23 FUA 13.6986
405 5KD8 TNR 14.0221
406 3ETG GTP 14.0221
407 6EOZ 58K 14.3911
408 3TL1 JRO 14.4654
409 4ZSD 7I6 15.2439
410 6B9T 2HE 15.4982
411 5HV0 AKG 15.6682
412 4RJD TFP 16.6667
413 4XIZ LPP 17.0588
414 4UCC ZKW 18.8841
415 5NNT DPV 18.9189
416 5KEW 6SB 19.1489
417 4DW4 U5P 19.1617
418 1GEG GLC 19.9219
419 5UGW GSH 21.1429
420 5MWE TCE 22.2222
421 4YSX E23 22.4359
422 4RI1 ACO 23.1183
423 5W97 CHD 23.2143
424 5Z84 CHD 23.2143
425 5ZCO CHD 23.2143
426 5ZCO PGV 23.2143
427 2DYR PGV 23.2143
428 2DYS PGV 23.2143
429 5Z84 TGL 23.2143
430 5Z84 PGV 23.2143
431 2DYR TGL 23.2143
432 3ET3 ET1 25
433 3ET1 ET1 25
434 4TV1 36M 30.7692
435 4TUZ 36J 30.7692
436 4MGB XDH 30.7692
437 4MG8 27J 30.7692
438 5WGD EST 30.7692
439 4MG9 27K 30.7692
440 3UUD EST 30.7692
441 4MGD 27N 30.7692
442 4MG7 27H 30.7692
443 2QZO KN1 30.7692
444 2QA8 GEN 30.7692
445 3UUA 0CZ 30.7692
446 1NRL SRL 32
447 1UO5 PIH 35.2941
448 2Y69 CHD 37.5
449 2HFP NSI 38.0952
450 1K7L 544 38.0952
451 3OLL EST 42.1053
452 3T03 3T0 44.4444
453 6A5Y 9CR 50
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