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Receptor
PDB id Resolution Class Description Source Keywords
3KYQ 2.44 Å EC: 2.3.1.- LIPID-INDUCED CONFORMATIONAL SWITCH CONTROLS FUSION ACTIVITY DOMAIN SNARE YKT6 RATTUS NORVEGICUS V-SNARE HOMOLOG LIPID BINDING CYTOPLASMIC VESICLE ER-GOLGTRANSPORT GOLGI APPARATUS LIPOPROTEIN PALMITATE PRENYLAPROTEIN TRANSPORT TRANSFERASE TRANSPORT
Ref.: LIPID-INDUCED CONFORMATIONAL SWITCH CONTROLS FUSION OF LONGIN DOMAIN SNARE YKT6 MOL.CELL V. 37 383 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DPV A:201;
Valid;
none;
Kd = 61 uM
351.462 C17 H38 N O4 P CCCCC...
SO4 A:199;
A:200;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KYQ 2.44 Å EC: 2.3.1.- LIPID-INDUCED CONFORMATIONAL SWITCH CONTROLS FUSION ACTIVITY DOMAIN SNARE YKT6 RATTUS NORVEGICUS V-SNARE HOMOLOG LIPID BINDING CYTOPLASMIC VESICLE ER-GOLGTRANSPORT GOLGI APPARATUS LIPOPROTEIN PALMITATE PRENYLAPROTEIN TRANSPORT TRANSFERASE TRANSPORT
Ref.: LIPID-INDUCED CONFORMATIONAL SWITCH CONTROLS FUSION OF LONGIN DOMAIN SNARE YKT6 MOL.CELL V. 37 383 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 3KYQ Kd = 61 uM DPV C17 H38 N O4 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3KYQ Kd = 61 uM DPV C17 H38 N O4 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3KYQ Kd = 61 uM DPV C17 H38 N O4 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DPV; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 DPV 1 1
2 PFS 0.539683 0.877551
3 P42 0.485294 0.826923
4 C6W 0.482143 0.847826
5 PCF 0.470588 0.877551
6 MC3 0.470588 0.877551
7 PC1 0.470588 0.877551
8 LPE 0.428571 0.826923
9 L9R 0.415584 0.86
10 POV 0.415584 0.86
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KYQ; Ligand: DPV; Similar sites found with APoc: 273
This union binding pocket(no: 1) in the query (biounit: 3kyq.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 2ALG HP6 None
3 2ALG DAO None
4 3QLM PLM None
5 3R1V AZB None
6 3MWS 017 None
7 3KPB SAM None
8 3ET3 ET1 None
9 1LFO OLA None
10 3TGE TGE None
11 1UO5 PIH None
12 6BYM HC3 None
13 1UVC STE None
14 2HFP NSI None
15 1ZEI CRS None
16 5X80 SAL None
17 4KWI 1TJ None
18 4V2O CLQ None
19 2P54 735 None
20 5XPL 8C9 None
21 3G9E RO7 None
22 3ET1 ET1 None
23 2VWA PTY None
24 3T03 3T0 None
25 3MHA Z69 None
26 4OMJ 2TX None
27 5HZ9 5M8 None
28 2AIB ERG None
29 2O4N TPV None
30 4AZP A9M None
31 4YC9 4C1 None
32 2YGO PCF None
33 4ZVV GN0 1.50754
34 4ZVV NAD 1.50754
35 3GZ9 D32 1.50754
36 3E7O 35F 1.50754
37 3QWI NAP 1.50754
38 4XVX P33 FDA 2.01005
39 4ZOW CLM 2.01005
40 5NTW 98N 2.01005
41 6BMM OLB 2.01005
42 5IXK 6EW 2.01005
43 4C2V YJA 2.01005
44 5X8Q 82R 2.01005
45 3QKD HI0 2.20994
46 2B96 ANN 2.43902
47 5HWO HMG 2.51256
48 5TO8 7FM 2.51256
49 4ONA UW1 2.51256
50 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.51256
51 3ICS COA 2.51256
52 3F3E LEU 2.51256
53 5HGR 45D 2.51256
54 2PX6 DH9 2.51256
55 3ICT COA 2.51256
56 1YMT DR9 3.01508
57 1YOK P6L 3.01508
58 1YP0 PEF 3.01508
59 4TWP AXI 3.01508
60 3ANP DAO 3.01508
61 3ANP DCC 3.01508
62 2AX9 BHM 3.01508
63 3KMZ EQO 3.01508
64 3V49 PK0 3.01508
65 3IPQ 965 3.01508
66 5T2U NAP 3.01508
67 1YUC EPH 3.01508
68 4K26 SFF 3.01508
69 4DK7 0KS 3.01508
70 3PQB VGP 3.01508
71 3KFC 61X 3.01508
72 3OV6 MK0 3.01508
73 4IPE ANP 3.01508
74 1KPH 10A 3.01508
75 2J1P GRG 3.01508
76 1XAP TTB 3.01508
77 5GQF GAL NAG 3.01508
78 5K13 6Q7 3.01508
79 5G3N X28 3.14961
80 1QXO FMN 3.35052
81 4WQ2 3SU 3.46821
82 2OBD 2OB 3.51759
83 3RY9 1CA 3.51759
84 5FPN KYD 3.51759
85 4DXD 9PC 3.51759
86 5XDT ZI7 3.51759
87 1N1G BCP 3.51759
88 3FAL LO2 3.51759
89 4POJ 2VP 3.51759
90 2WSB NAD 3.51759
91 6MPT C30 3.51759
92 3SM2 478 3.51759
93 4R6W SAH 3.51759
94 5YBN AKG 3.51759
95 3H0A D30 3.51759
96 3WHB DCC 3.60825
97 5LPA 71R 3.7037
98 5LPA ATP 3.7037
99 3E2M E2M 3.78378
100 4DXJ 0M9 3.8674
101 4DXJ IPE 3.8674
102 5W7B MYR 4.0201
103 6BMS PLM 4.0201
104 6F6E PLM 4.0201
105 4EXO PYR 4.0201
106 3EBL GA4 4.0201
107 2Z7I 742 4.0201
108 4XNV BUR 4.0201
109 6AYI C3G 4.0201
110 4OB6 S2T 4.0201
111 6AYH C3G 4.0201
112 1HG4 LPP 4.0201
113 4NZF ARB 4.0201
114 6FS0 E4W 4.40252
115 1BWO LPC 4.44444
116 3RGA ILD 4.52261
117 2WYA HMG 4.52261
118 4MIB 28M 4.52261
119 5WIU AQD 4.52261
120 5FNU L6I 4.52261
121 2ZSH GA3 4.52261
122 3PP0 03Q 4.52261
123 2GTE VA 4.52261
124 2Z81 PCJ 4.52261
125 4CRL C1I 4.52261
126 5TCI 79V 4.52261
127 3R9C ECL 4.52261
128 3E3U NVC 4.56853
129 3N7H DE3 4.8
130 5V4R MGT 4.93827
131 3RUU 37G 5.02513
132 4O4K 2PK 5.02513
133 3OKI OKI 5.02513
134 1ZDT PEF 5.02513
135 3BQD DAY 5.02513
136 4QJR PIZ 5.02513
137 4LSJ LSJ 5.02513
138 4P6X HCY 5.02513
139 1I0B PEL 5.02513
140 1LN1 DLP 5.02513
141 3CHT 4NB 5.02513
142 3Q8G PEE 5.02513
143 1M2Z DEX 5.02513
144 1T57 FMN 5.02513
145 4P6W MOF 5.02513
146 3BEJ MUF 5.02513
147 1S68 AMP 5.02513
148 4I3V NAD 5.02513
149 1T0S BML 5.02513
150 5LX9 OLB 5.02513
151 2QCX PF1 5.02513
152 6A5Y 9R0 5.02513
153 1SR7 MOF 5.40541
154 4UDB CV7 5.52764
155 3VHE 42Q 5.52764
156 3T6E UQ9 5.52764
157 3EE4 MYR 5.52764
158 5MWY YNU 5.52764
159 3L1N PLM 5.52764
160 2A3I C0R 5.52764
161 5HCV 60R 5.52764
162 3G58 988 5.52764
163 5Y02 HBX 5.60748
164 3KXC PLM 5.6701
165 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 6
166 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 6
167 4V3I ASP LEU THR ARG PRO 6.03015
168 4G86 BNT 6.03015
169 4KBS PX2 6.03015
170 5U98 1KX 6.06061
171 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 6.06061
172 2RFX LEU SER SER PRO VAL THR LYS SER PHE 6.06061
173 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 6.06061
174 3HUJ AGH 6.06061
175 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 6.12245
176 1N4H REA 6.17761
177 2QZT PLM 6.30631
178 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 6.53266
179 3E70 GDP 6.53266
180 1ZED PNP 6.53266
181 5CSD ACD 6.91824
182 3RET PYR 6.93069
183 3RET SAL 6.93069
184 4COL DTP 7.03518
185 1Q7E MET 7.03518
186 5WL1 CUY 7.03518
187 5WL1 D3D 7.03518
188 3UYK 0CX 7.03518
189 2Q1H AS4 7.03518
190 6CB2 OLC 7.03518
191 4U0I 0LI 7.03518
192 4P5Z Q7M 7.03518
193 1FP1 HCC 7.03518
194 5N26 CPT 7.14286
195 1L6O SER LEU LYS LEU MET THR THR VAL 7.36842
196 3GN8 DEX 7.53769
197 5Y72 DST 7.53769
198 4E2J MOF 7.53769
199 5UFS 1TA 7.53769
200 6MVU K4V 7.53769
201 5LXT ACP 7.69231
202 4WN5 MVC 7.82609
203 5BV6 35G 7.89474
204 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 8
205 4OGQ 7PH 8.0402
206 1P1M MET 8.0402
207 3PVT 3HC 8.0402
208 2P8U COA 8.0402
209 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 8.08081
210 3G08 FEE 8.08081
211 1LEK GLU GLN TYR LYS PHE TYR SER VAL 8.08081
212 4EHQ GBL 8.10811
213 3ZQE DXC 8.54271
214 5HVA DUP 8.57143
215 5Z1N PEF 8.92857
216 1G2N EPH 9.04523
217 3IQE F42 9.04523
218 5UI2 EQ3 9.54774
219 4UBS DIF 9.54774
220 1R5L VIV 9.92366
221 5FOM A2H 10.0503
222 3WCA FPS 10.0503
223 3WUR O4B 10.5528
224 4L4V 1VY 10.5528
225 5LOF 70R 10.5528
226 2CDC XYS 10.5528
227 3RMK BML 10.8434
228 3KRO IPE 11.0553
229 3KRO DST 11.0553
230 5FFF 5XC 11.0553
231 5FFF NAP 11.0553
232 2HU5 GLY PHE 11.0553
233 5FEU NAP 11.0553
234 5GWT SIN 11.0553
235 5GWT NAD 11.0553
236 5N69 2OW 11.0553
237 3ZX4 2M8 11.1969
238 4EIP K2C 11.5578
239 4FAJ LEU VAL THR LEU VAL PHE VAL 11.5578
240 1XVB BHL 11.5578
241 4BX7 B4F 11.7188
242 2XXP DSL 12.0603
243 1XPM HMG 12.0603
244 1XPK HMG 12.0603
245 2AG5 NAD 12.5628
246 2OFV 242 12.5628
247 5ZCO PGV 13.0653
248 2DYR PGV 13.0653
249 5C9J STE 13.0653
250 5Z84 PGV 13.0653
251 5Z84 PEK 13.0653
252 2DYS PGV 13.0653
253 5ZCO PEK 13.0653
254 2DYS PEK 13.0653
255 2DYS TGL 13.0653
256 2DYR PEK 13.0653
257 5ZCO TGL 13.0653
258 3RV5 DXC 13.4831
259 3EWC MCF 13.5678
260 3W68 VIV 13.5678
261 3TL1 JRO 13.8365
262 5ICE 2H4 14.5729
263 1JGS SAL 15.2174
264 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 15.5172
265 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 16.5829
266 2Y31 SMQ 16.5829
267 1OLM VTQ 18.0905
268 1HK8 DGT 18.593
269 1LVK MNT BEF 19.598
270 3VZS NAP 20.1005
271 3VZS CAA 20.1005
272 3I51 6PL 21.1055
273 3CXH SMA 21.5054
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