-->
Receptor
PDB id Resolution Class Description Source Keywords
3B74 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEAST SEC14 HOMOLOG SFH1 IN COMPLEX WIT PHOSPHATIDYLETHANOLAMINE SACCHAROMYCES CEREVISIAE SEC14 GOLGI PHOSPHOLIPID PHOSPHATIDYLETHANOLAMINE SIGNALPROTEIN
Ref.: FUNCTIONAL ANATOMY OF PHOSPHOLIPID BINDING AND REGU PHOSPHOINOSITIDE HOMEOSTASIS BY PROTEINS OF THE SEC SUPERFAMILY MOL.CELL V. 29 191 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEE A:311;
Valid;
none;
submit data
749.073 C41 H83 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3Q8G 1.8 Å NON-ENZYME: OTHER RESURRECTION OF A FUNCTIONAL PHOSPHATIDYLINOSITOL TRANSFER P FROM A PSEUDO-SEC14 SCAFFOLD BY DIRECTED EVOLUTION SACCHAROMYCES CEREVISIAE CRAL-TRIO STRING MOTIF SIGNALING PROTEIN DIRECTED EVOLUTISEC14 PHOSPHOLIPID TRANSPORTER LIPID PHOSPHATIDYLINOSITOPHOSPHATIDYLCHOLINE
Ref.: RESURRECTION OF A FUNCTIONAL PHOSPHATIDYLINOSITOL T PROTEIN FROM A PSEUDO-SEC14 SCAFFOLD BY DIRECTED EV MOL.BIOL.CELL V. 22 892 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3B7Q - 6PL C42 H85 N O8 P CCCCCCCCCC....
2 3B74 - PEE C41 H83 N O8 P CCCCCCCCCC....
3 3B7N - B7N C45 H85 O13 P CCCCCCCCCC....
4 3Q8G - PEE C41 H83 N O8 P CCCCCCCCCC....
5 3B7Z - B7N C45 H85 O13 P CCCCCCCCCC....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3B7Q - 6PL C42 H85 N O8 P CCCCCCCCCC....
2 3B74 - PEE C41 H83 N O8 P CCCCCCCCCC....
3 3B7N - B7N C45 H85 O13 P CCCCCCCCCC....
4 3Q8G - PEE C41 H83 N O8 P CCCCCCCCCC....
5 3B7Z - B7N C45 H85 O13 P CCCCCCCCCC....
6 1AUA - BOG C14 H28 O6 CCCCCCCCO[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3B7Q - 6PL C42 H85 N O8 P CCCCCCCCCC....
2 3B74 - PEE C41 H83 N O8 P CCCCCCCCCC....
3 3B7N - B7N C45 H85 O13 P CCCCCCCCCC....
4 3Q8G - PEE C41 H83 N O8 P CCCCCCCCCC....
5 3B7Z - B7N C45 H85 O13 P CCCCCCCCCC....
6 1AUA - BOG C14 H28 O6 CCCCCCCCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEE; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 PEE 1 1
2 PEF 0.8 0.980769
3 PEH 0.8 0.980769
4 PTY 0.8 0.980769
5 PEV 0.8 0.980769
6 8PE 0.8 0.980769
7 9PE 0.787879 0.980769
8 LIO 0.764706 0.810345
9 PLD 0.764706 0.810345
10 HGP 0.764706 0.810345
11 6PL 0.764706 0.810345
12 PC7 0.764706 0.810345
13 HGX 0.764706 0.810345
14 CD4 0.757576 0.807692
15 LHG 0.735294 0.811321
16 PGT 0.735294 0.811321
17 P5S 0.714286 0.888889
18 XP5 0.710145 0.810345
19 7PH 0.703125 0.773585
20 LPP 0.703125 0.773585
21 6PH 0.703125 0.773585
22 F57 0.703125 0.773585
23 3PH 0.703125 0.773585
24 LOP 0.702703 0.962264
25 6OU 0.702703 0.962264
26 L9Q 0.702703 0.962264
27 3PE 0.7 0.903846
28 PX2 0.692308 0.788462
29 7P9 0.692308 0.773585
30 PX8 0.692308 0.788462
31 CN3 0.675676 0.807692
32 PCW 0.675325 0.79661
33 ZPE 0.662338 0.962264
34 PCK 0.658228 0.770492
35 PGW 0.649351 0.796296
36 D3D 0.649351 0.796296
37 CN6 0.648649 0.807692
38 PII 0.648649 0.694915
39 PD7 0.646154 0.773585
40 DR9 0.641026 0.796296
41 PGV 0.641026 0.796296
42 GP7 0.634146 0.962264
43 PGK 0.632911 0.767857
44 P6L 0.632911 0.796296
45 PEK 0.62963 0.962264
46 44G 0.628571 0.811321
47 OZ2 0.625 0.796296
48 P50 0.625 0.888889
49 PSC 0.619048 0.79661
50 D21 0.616438 0.759259
51 M7U 0.616438 0.773585
52 PSF 0.611111 0.888889
53 PIF 0.61039 0.683333
54 DGG 0.609756 0.767857
55 CDL 0.60274 0.769231
56 PIZ 0.6 0.694915
57 44E 0.590909 0.773585
58 52N 0.5875 0.683333
59 PIO 0.5875 0.683333
60 IP9 0.5875 0.694915
61 B7N 0.578313 0.683333
62 PC1 0.571429 0.741379
63 PDK 0.571429 0.819672
64 MC3 0.571429 0.741379
65 PCF 0.571429 0.741379
66 8ND 0.557143 0.716981
67 AGA 0.538462 0.811321
68 EPH 0.532609 0.962264
69 PIE 0.517241 0.666667
70 T7X 0.516484 0.683333
71 L9R 0.511628 0.728814
72 POV 0.511628 0.728814
73 LP3 0.506494 0.844828
74 LPC 0.506494 0.844828
75 LAP 0.506494 0.844828
76 P3A 0.5 0.796296
77 CN5 0.481013 0.826923
78 NKN 0.464789 0.773585
79 NKO 0.464789 0.773585
80 42H 0.453488 0.830508
81 DLP 0.451613 0.728814
82 S12 0.425287 0.854545
83 43Y 0.421053 0.775862
84 PC5 0.419753 0.66129
85 NKP 0.4125 0.759259
86 PCJ 0.409091 0.661017
87 PGM 0.405063 0.792453
88 DB4 0.402439 0.633333
89 3PC 0.4 0.724138
90 PBU 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3Q8G; Ligand: PEE; Similar sites found with APoc: 258
This union binding pocket(no: 1) in the query (biounit: 3q8g.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 3EW2 BTN None
3 4JNJ BTN None
4 4WG0 CHD None
5 3HYW DCQ 1.25
6 3HLF SIM 1.25
7 1GEG GLC 1.5625
8 1YUC EPH 1.56863
9 6EHH 2GE 1.70455
10 2HFP NSI 1.875
11 5KD8 TNR 1.875
12 2BP1 FLC 1.875
13 6EOP F15 1.875
14 5MBC FMN 1.875
15 4O4Z N2O 1.94805
16 3KP6 SAL 1.98676
17 3ET3 ET1 2.05479
18 3RGA LSB 2.12014
19 2GVJ DGB 2.1875
20 4UDB CV7 2.20588
21 4L4J NAG NAG BMA MAN NAG 2.26244
22 3SQP 3J8 2.30126
23 5HCV 60R 2.33463
24 2CW6 3HG 2.34899
25 1Q19 SSC 2.38569
26 1TW4 CHD 2.4
27 6AC9 ANP 2.5
28 2D3M COA 2.5
29 2PSJ CEI 2.50784
30 1NRL SRL 2.53165
31 4H69 10Y 2.57732
32 4F4S EFO 2.63158
33 5AZC PGT 2.66667
34 4XCB AKG 2.68199
35 5DX3 EST 2.68199
36 5DXG EST 2.68199
37 5WGD EST 2.68199
38 5WGQ EST 2.68199
39 5DXE EST 2.68199
40 2QA8 GEN 2.71318
41 2QZO KN1 2.71318
42 6A46 DCM 2.73438
43 3WW2 SF6 2.73438
44 4MGA 27L 2.7451
45 4MG9 27K 2.7451
46 4MGD 27N 2.7451
47 4TUZ 36J 2.7451
48 4MGB XDH 2.7451
49 4MG7 27H 2.7451
50 2BJ4 OHT 2.77778
51 3UUA 0CZ 2.78884
52 3UU7 2OH 2.78884
53 4TV1 36M 2.78884
54 3UUD EST 2.78884
55 5V3Y 5V8 2.7972
56 3X01 AMP 2.8125
57 3AWJ COA 2.8125
58 3G58 988 2.8125
59 5UGW GSH 2.85714
60 5LXB 7A9 2.89256
61 6A63 LAT 2.89855
62 6CS8 F9Y 2.9703
63 4URG C2E 2.99401
64 4WOE ADP 3.125
65 1ZHX HC3 3.125
66 4D86 ADP 3.125
67 3RDE OYP 3.125
68 3TL1 JRO 3.14465
69 1ZM1 BGC BGC BGC 3.3195
70 2RH1 CAU 3.4
71 5VZ0 ADP 3.4375
72 3W54 RNB 3.4375
73 2E56 MYR 3.47222
74 2VDY HCY 3.48525
75 2GWH PCI 3.69128
76 1YYE 196 3.73134
77 4FFG LBS 3.75
78 1PCA CIT 3.75
79 5SXS AMP 3.75
80 4LH7 NMN 3.75
81 4RZB NFQ 3.75
82 1XX4 BAM 3.83142
83 5B09 4MX 3.84615
84 1DKF OLA 3.86266
85 1OW4 2AN 3.87597
86 4RFR RHN 3.94089
87 1ZY5 ANP 3.9604
88 2Q1H AS4 4
89 4E2J MOF 4
90 3GN8 DEX 4.01606
91 5UFS 1TA 4.03226
92 5C1M OLC 4.0625
93 3PQB VGP 4.0625
94 5C3R HMU 4.0625
95 5C3R AKG 4.0625
96 5MZI FYK 4.0625
97 2ZBA ZBA 4.0625
98 5Y24 GLY MET PRO ARG GLY ALA 4.0625
99 1U3R 338 4.14938
100 3ROE THM 4.15094
101 4J24 EST 4.16667
102 4J26 EST 4.16667
103 4D06 NAR 4.24028
104 1J54 TMP 4.30108
105 2BCG GER 4.36893
106 1A05 IPM 4.375
107 5J32 IPM 4.375
108 1ODM ASV 4.375
109 5O9W AKG 4.375
110 5CHR 4NC 4.37956
111 2OZ5 7XY 4.39189
112 1I4D GDP 4.46429
113 3ET1 ET1 4.46735
114 3OYW TDG 4.47761
115 2VQ5 HBA 4.47761
116 6HDT BTN 4.51128
117 5T7I LAT NAG GAL 4.51613
118 1ULE GLA GAL NAG 4.66667
119 1ZED PNP 4.6875
120 3E70 GDP 4.6875
121 3AVR OGA 4.6875
122 1R6N 434 4.73934
123 3KRO PPV 4.74453
124 4RLT FSE 4.7619
125 4DS8 A8S 4.78469
126 3RY9 1CA 4.8
127 1KZL CRM 4.80769
128 1NF8 BOG 4.83092
129 1EB9 HBA 4.96183
130 2DW7 SRT 5
131 2QFY AKG 5
132 3KYQ DPV 5.02513
133 6AYI C3G 5.02513
134 2Z77 HE7 5.03597
135 5HYR EST 5.03876
136 5CK5 GDP 5.06329
137 5LWY OLB 5.13699
138 4GGZ BTN 5.21739
139 4YLZ LAT NAG GAL 5.22876
140 6A5Y 9CR 5.26316
141 3IX9 MTX 5.26316
142 5UC9 MYR 5.30973
143 5OLK DTP 5.3125
144 3TKY N7I 5.3125
145 1ZGA HMK 5.3125
146 4OX5 DAL 5.34759
147 4LSJ LSJ 5.42636
148 4MRP GSH 5.625
149 5A4W QCT 5.66038
150 1Y9Q MED 5.72917
151 1NKI PPF 5.92593
152 6GNO XDI 5.92593
153 5M36 9SZ 5.9375
154 3FW9 SLX 5.9375
155 5M37 9SZ 5.9375
156 3WQM B29 5.98007
157 4ZU4 4TG 6.08108
158 1NU4 MLA 6.18557
159 5NFB 8VT 6.25
160 4W9N TCL 6.25
161 2WA4 069 6.25
162 1I0B PEL 6.25
163 3JRS A8S 6.25
164 6GR0 F8W 6.32184
165 1QY1 PRZ 6.32184
166 4WGF HX2 6.34146
167 5G5W R8C 6.42857
168 4U0W 16G 6.50407
169 5Y02 MXN 6.54206
170 5Y02 HBX 6.54206
171 3WUC GLC GAL 6.56934
172 4OCT AKG 6.75676
173 5LX9 OLB 6.84039
174 3SAO NKN 6.875
175 1W6U HXC 6.875
176 1SR7 MOF 6.94981
177 1WBI BTN 6.97674
178 4OAR 2S0 6.97674
179 1M2Z DEX 7.00389
180 3BQD DAY 7.05882
181 5OCA 9QZ 7.14286
182 3V49 PK0 7.14286
183 2WH8 II2 7.1875
184 1OBD ATP 7.18954
185 6G5J EM8 7.27273
186 4ZGM 32M 7.37705
187 5TDF ADE 7.5
188 5X7Q GLC GLC GLC GLC 7.5
189 5X7Q GLC GLC GLC GLC GLC 7.5
190 2O4J VD4 7.5
191 2D5X L35 7.53425
192 4JE7 BB2 7.61421
193 5H9Q TD2 7.74194
194 5W7B MYR 7.80142
195 5CX6 CDP 7.8125
196 4NYT PC 7.8341
197 3NMV PYV 7.86517
198 4JH6 FCN 7.97101
199 4IE6 UN9 8.125
200 4H6B 10X 8.20513
201 2JIG PD2 8.48214
202 1Y2F WAI 8.63309
203 4ITR GDP 8.75
204 1N8V BDD 8.92857
205 3WG3 A2G GAL NAG FUC 8.98876
206 1OKE BOG 9.0625
207 3HP9 CF1 9.375
208 1XMY ROL 9.375
209 4QCK ASD 9.6875
210 3T2W BTN 9.83607
211 1OGX EQU 9.92366
212 3NB0 G6P 10
213 5ODQ 9SB 10
214 2ZHL NAG GAL GAL NAG 10.1351
215 2O5L MNR 10.4575
216 4EJ1 FOL 11.194
217 1OGZ EQU 11.2
218 3N7S 3N7 11.4583
219 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 11.5646
220 1N5S ADL 12.5
221 2QJY UQ2 12.8342
222 1ZEI CRS 13.2075
223 4RW3 PLM 13.245
224 4RW3 TDA 13.245
225 1SGJ OAA 13.7324
226 2V5E SCR 13.8614
227 5L3S G 14.094
228 2P7Q GG6 14.2857
229 4BJ8 BTN 14.2857
230 5ODY 9SK 14.4928
231 1J3R 6PG 14.7368
232 3E2M E2M 15.1351
233 4OGQ UMQ 16.2162
234 4OGQ 1O2 16.2162
235 4OGQ 7PH 16.2162
236 2Y69 CHD 16.25
237 5U97 PIT 16.5625
238 3HY2 ATP 18.4466
239 2GBB CIT 18.5897
240 4ELG 52J 19.2771
241 4HBM 0Y7 20
242 2QL9 CIT 21.6495
243 5Z84 CHD 22.0339
244 5W97 CHD 22.0339
245 5ZCO CHD 22.0339
246 5ZCO PEK 22.0339
247 5Z84 PEK 22.0339
248 2DYS PGV 22.0339
249 5ZCO PGV 22.0339
250 5Z84 PGV 22.0339
251 2DYR PGV 22.0339
252 1RV1 IMZ 28.2353
253 1UO4 PIH 29.4118
254 3HX3 RET 30.3797
255 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 33.3333
256 1R5L VIV 38.1679
257 1O6U PLM 42.5
258 1OLM VTQ 44.375
APoc FAQ
Feedback