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 28 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 25 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 24 families.
1 3KYQ Kd = 61 uM DPV C17 H38 N O4 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DPV; Similar ligands found: 9
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 MC3 0.470588 0.877551
6 PC1 0.470588 0.877551
7 PCF 0.470588 0.877551
8 LPE 0.428571 0.826923
9 L9R 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: 178
This union binding pocket(no: 1) in the query (biounit: 3kyq.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ALG DAO 0.004558 0.44203 None
2 2ALG HP6 0.004558 0.44203 None
3 3VRV YSD 0.01755 0.43886 None
4 3R1V AZB 0.01302 0.42328 None
5 3MWS 017 0.01955 0.42182 None
6 3KPB SAM 0.0239 0.41937 None
7 4V2O CLQ 0.00613 0.41813 None
8 3ET3 ET1 0.01338 0.41624 None
9 5GIC DLC 0.02304 0.41559 None
10 1UVC STE 0.02697 0.41069 None
11 4NE2 SH2 0.03936 0.40963 None
12 4KWI 1TJ 0.04967 0.40948 None
13 2P54 735 0.02886 0.40651 None
14 3G9E RO7 0.04351 0.40521 None
15 3ET1 ET1 0.02088 0.40455 None
16 2VWA PTY 0.008826 0.40436 None
17 3T03 3T0 0.01846 0.40353 None
18 3MHA Z69 0.03566 0.40294 None
19 4OMJ 2TX 0.0458 0.40293 None
20 5HZ9 5M8 0.0377 0.40291 None
21 2AIB ERG 0.0356 0.40167 None
22 2O4N TPV 0.03581 0.40154 None
23 5MT9 SRO 0.03391 0.40143 None
24 4AZP A9M 0.03268 0.40086 None
25 4YC9 4C1 0.0175 0.40049 None
26 2YGO PCF 0.0447 0.40013 None
27 3E7O 35F 0.0307 0.41127 1.50754
28 3QWI NAP 0.04886 0.4014 1.50754
29 4ZOM 4Q3 0.03458 0.43565 2.01005
30 4XVX P33 FDA 0.01435 0.43246 2.01005
31 4ZOW CLM 0.01114 0.42032 2.01005
32 5NTW 98N 0.02121 0.41874 2.01005
33 5IXK 6EW 0.01781 0.40985 2.01005
34 4C2V YJA 0.03687 0.40464 2.01005
35 5X8Q 82R 0.01986 0.40384 2.01005
36 5APJ 76E 0.03964 0.40295 2.01005
37 3QKD HI0 0.03088 0.40067 2.20994
38 5TO8 7FM 0.01485 0.4348 2.51256
39 3F3E LEU 0.04753 0.40703 2.51256
40 5HGR 45D 0.04355 0.40519 2.51256
41 2PX6 DH9 0.01781 0.40431 2.51256
42 3ICT COA 0.04269 0.40121 2.51256
43 3O9L LPN 0.04813 0.40853 3.01205
44 1YMT DR9 0.002208 0.46816 3.01508
45 1YOK P6L 0.004592 0.4603 3.01508
46 1YP0 PEF 0.002367 0.45847 3.01508
47 4TWP AXI 0.01319 0.44236 3.01508
48 3ANP DAO 0.005803 0.44161 3.01508
49 3ANP DCC 0.009273 0.43529 3.01508
50 2AX9 BHM 0.01641 0.43437 3.01508
51 3KMZ EQO 0.01109 0.42982 3.01508
52 3V49 PK0 0.01015 0.42893 3.01508
53 3IPQ 965 0.01925 0.42099 3.01508
54 1YUC EPH 0.01916 0.41449 3.01508
55 4K26 SFF 0.04105 0.41238 3.01508
56 3PQB VGP 0.01955 0.40943 3.01508
57 3OV6 MK0 0.0326 0.40871 3.01508
58 3KFC 61X 0.03587 0.40871 3.01508
59 4IPE ANP 0.02504 0.40838 3.01508
60 1KPH 10A 0.01978 0.40576 3.01508
61 2J1P GRG 0.02594 0.40462 3.01508
62 1XAP TTB 0.02612 0.40127 3.01508
63 5GQF GAL NAG 0.01967 0.4001 3.01508
64 5K13 6Q7 0.02962 0.40006 3.01508
65 5G3N X28 0.01608 0.41382 3.14961
66 4WQ2 3SU 0.003371 0.4429 3.46821
67 5XDT ZI7 0.01503 0.42285 3.51759
68 4POJ 2VP 0.0163 0.41669 3.51759
69 3SM2 478 0.04331 0.40926 3.51759
70 3FAL LO2 0.03923 0.4055 3.51759
71 4R6W SAH 0.04402 0.40387 3.51759
72 3H0A D30 0.03847 0.40118 3.51759
73 3S7O LBV 0.04924 0.40013 3.51759
74 3WHB DCC 0.02781 0.41687 3.60825
75 4DXJ 0M9 0.01156 0.43154 3.8674
76 4DXJ IPE 0.01314 0.43106 3.8674
77 3EBL GA4 0.01664 0.41306 4.0201
78 1HG4 LPP 0.03661 0.40233 4.0201
79 4NZF ARB 0.01304 0.40206 4.0201
80 1BWO LPC 0.008968 0.42331 4.44444
81 3RGA ILD 0.004027 0.44825 4.52261
82 2WYA HMG 0.0139 0.42976 4.52261
83 4MIB 28M 0.04824 0.42557 4.52261
84 5FNU L6I 0.02094 0.41388 4.52261
85 2ZSH GA3 0.01666 0.41303 4.52261
86 2GTE VA 0.02285 0.40902 4.52261
87 2Z81 PCJ 0.03382 0.40544 4.52261
88 4CRL C1I 0.04348 0.40417 4.52261
89 3R9C ECL 0.01683 0.40135 4.52261
90 5MES 7LT 0.0144 0.40472 4.78261
91 3N7H DE3 0.02858 0.42925 4.8
92 1ZDT PEF 0.002097 0.46783 5.02513
93 3RUU 37G 0.002543 0.46493 5.02513
94 3BQD DAY 0.00275 0.4533 5.02513
95 4QJR PIZ 0.004742 0.44773 5.02513
96 4LSJ LSJ 0.005002 0.43995 5.02513
97 4P6X HCY 0.006017 0.43403 5.02513
98 1LN1 DLP 0.01944 0.4231 5.02513
99 3Q8G PEE 0.04359 0.42024 5.02513
100 1M2Z DEX 0.01127 0.42005 5.02513
101 1T57 FMN 0.01606 0.41547 5.02513
102 4O4K 2PK 0.01741 0.41365 5.02513
103 3BEJ MUF 0.02367 0.4067 5.02513
104 1S68 AMP 0.009454 0.40619 5.02513
105 4I3V NAD 0.04632 0.40574 5.02513
106 3CHT 4NB 0.00507 0.40057 5.02513
107 1SR7 MOF 0.0115 0.43417 5.40541
108 3VHE 42Q 0.01122 0.43222 5.52764
109 3T6E UQ9 0.0169 0.43072 5.52764
110 3EE4 MYR 0.007945 0.42961 5.52764
111 3L1N PLM 0.003839 0.42521 5.52764
112 2A3I C0R 0.01296 0.41867 5.52764
113 5HCV 60R 0.01492 0.41381 5.52764
114 3G58 988 0.01614 0.40843 5.52764
115 3KXC PLM 0.01138 0.42634 5.6701
116 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 0.003389 0.45536 6
117 4V3I ASP LEU THR ARG PRO 0.001586 0.42199 6.03015
118 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.0008442 0.49317 6.06061
119 5U98 1KX 0.005468 0.4605 6.06061
120 3HUJ AGH 0.04978 0.41412 6.06061
121 1N4H REA 0.005702 0.43876 6.17761
122 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.005989 0.45175 6.18557
123 2QZT PLM 0.01786 0.42021 6.30631
124 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.006036 0.45713 6.53266
125 5CSD ACD 0.006497 0.45216 6.91824
126 4COL DTP 0.002768 0.44505 7.03518
127 3UYK 0CX 0.01707 0.42944 7.03518
128 2Q1H AS4 0.007169 0.42827 7.03518
129 4U0I 0LI 0.02884 0.41157 7.03518
130 4P5Z Q7M 0.03823 0.41131 7.03518
131 1FP1 HCC 0.02291 0.40248 7.03518
132 1L6O SER LEU LYS LEU MET THR THR VAL 0.00667 0.42584 7.36842
133 3GN8 DEX 0.00429 0.44155 7.53769
134 4XT2 43L 0.002315 0.45896 7.69231
135 5LXT ACP 0.03169 0.40008 7.69231
136 4WN5 MVC 0.01541 0.4164 7.82609
137 5BV6 35G 0.01939 0.4062 7.89474
138 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.01009 0.43596 8
139 2P8U COA 0.02958 0.40165 8.0402
140 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.04091 0.42808 8.08081
141 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01882 0.42608 8.08081
142 3G08 FEE 0.04816 0.41776 8.08081
143 3VHZ SOG 0.01619 0.43469 8.54271
144 5HVA DUP 0.01932 0.4143 8.57143
145 1G2N EPH 0.01571 0.41752 9.04523
146 3IQE F42 0.02552 0.4156 9.04523
147 5UI2 EQ3 0.01832 0.42562 9.54774
148 1R5L VIV 0.03256 0.40236 9.92366
149 3WCA FPS 0.04358 0.40073 10.0503
150 5LOF 70R 0.0183 0.42093 10.5528
151 3KRO IPE 0.01231 0.42601 11.0553
152 3KRO DST 0.01231 0.42601 11.0553
153 2HU5 GLY PHE 0.009907 0.41506 11.0553
154 5N69 2OW 0.02057 0.40307 11.0553
155 3ZX4 2M8 0.01727 0.40079 11.1969
156 4EIP FAD 0.01611 0.44093 11.5578
157 4EIP K2C 0.01611 0.44093 11.5578
158 1XVB BHL 0.03774 0.41351 11.5578
159 4FAJ LEU VAL THR LEU VAL PHE VAL 0.03327 0.41157 11.5578
160 4BX7 B4F 0.03459 0.40365 11.7188
161 1XPM HMG 0.03548 0.40432 12.0603
162 1XPK HMG 0.03792 0.40399 12.0603
163 2AG5 NAD 0.01592 0.4254 12.5628
164 2OFV 242 0.04871 0.40354 12.5628
165 2DYR PGV 0.0362 0.41261 13.0653
166 5C9J STE 0.01623 0.41193 13.0653
167 3EWC MCF 0.02563 0.40785 13.5678
168 3W68 VIV 0.02956 0.40011 13.5678
169 3TL1 JRO 0.01235 0.40054 13.8365
170 1JGS SAL 0.002932 0.42139 15.2174
171 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.0162 0.43467 15.5172
172 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 0.008153 0.4765 16.5829
173 2Y31 SMQ 0.03075 0.41007 16.5829
174 1OLM VTQ 0.01559 0.42201 18.0905
175 1HK8 DGT 0.01857 0.40532 18.593
176 3VZS CAA 0.01652 0.45145 20.1005
177 3VZS NAP 0.009727 0.45145 20.1005
178 3I51 6PL 0.03685 0.40087 21.1055
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