Receptor
PDB id Resolution Class Description Source Keywords
6myj 1.33 Å NON-ENZYME: OTHER PLEUROTUS OSTREATUS OSTREOLYSINA PLUS SPHINGOMYELIN PLEUROTUS OSTREATUS BETA-SANDWICH FOLD MEMBRANE BINDING PROTEIN MEMBRANE PROTE
Ref.: MOLECULAR DISCRIMINATION BETWEEN TWO CONFORMATIONS SPHINGOMYELIN IN PLASMA MEMBRANES. CELL V. 176 1040 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO D:205;
A:202;
C:203;
B:206;
C:207;
B:204;
C:202;
B:205;
B:203;
B:207;
B:202;
A:204;
C:205;
C:206;
A:205;
D:202;
D:204;
D:203;
A:203;
C:204;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
NA A:201;
D:201;
B:201;
C:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
22.99 Na [Na+]
K6V D:206;
 Valid;
 none;
 submit data
145.199 C7 H15 N O2 CCCC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MYJ 1.33 Å NON-ENZYME: OTHER PLEUROTUS OSTREATUS OSTREOLYSINA PLUS SPHINGOMYELIN PLEUROTUS OSTREATUS BETA-SANDWICH FOLD MEMBRANE BINDING PROTEIN MEMBRANE PROTE
Ref.: MOLECULAR DISCRIMINATION BETWEEN TWO CONFORMATIONS SPHINGOMYELIN IN PLASMA MEMBRANES. CELL V. 176 1040 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6MYJ - K6V C7 H15 N O2 CCCC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6MYJ - K6V C7 H15 N O2 CCCC(=O)N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6MYJ - K6V C7 H15 N O2 CCCC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K6V; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 K6V 1 1
2 C4L 0.439024 0.736842
Similar Ligands (3D)
Ligand no: 1; Ligand: K6V; Similar ligands found: 271
No: Ligand Similarity coefficient
1 BHH 0.9547
2 GLY ALA 0.9504
3 3OL 0.9437
4 5XA 0.9391
5 AL0 0.9374
6 HL5 0.9301
7 LMR 0.9282
8 1H1 0.9250
9 PEP 0.9243
10 GLU 0.9236
11 MLT 0.9236
12 HDH 0.9232
13 AKG 0.9229
14 GLY GLY 0.9227
15 ALA ALA 0.9212
16 URP 0.9204
17 MD0 0.9202
18 SOR 0.9194
19 BNF 0.9193
20 OAA 0.9192
21 XUL 0.9189
22 DGN 0.9189
23 98J 0.9188
24 XYL 0.9181
25 SD4 0.9181
26 LEU 0.9172
27 NMH 0.9172
28 LYS 0.9164
29 I38 0.9162
30 GUA 0.9162
31 ASP 0.9151
32 XLS 0.9148
33 KMH 0.9147
34 OTR 0.9146
35 RNS 0.9146
36 NTU 0.9131
37 PGH 0.9124
38 GLY CYS 0.9122
39 3BU 0.9119
40 5XB 0.9118
41 IXW 0.9114
42 RJY 0.9113
43 NLE 0.9107
44 MEQ 0.9107
45 8EW 0.9107
46 GLN 0.9103
47 152 0.9103
48 OKG 0.9098
49 MEV 0.9097
50 3OM 0.9089
51 IHG 0.9086
52 BHO 0.9083
53 7BC 0.9068
54 6XA 0.9068
55 OCT 0.9066
56 OCA 0.9066
57 GOJ 0.9062
58 FOC 0.9062
59 129 0.9060
60 NF3 0.9059
61 2CO 0.9059
62 HGA 0.9059
63 268 0.9057
64 ISZ 0.9057
65 2HG 0.9057
66 1DJ 0.9056
67 AG2 0.9052
68 PG0 0.9049
69 13P 0.9046
70 LPK 0.9040
71 NSD 0.9040
72 16D 0.9040
73 S8V 0.9039
74 COI 0.9037
75 1SA 0.9036
76 RBL 0.9030
77 HPN 0.9029
78 NIZ 0.9023
79 HL4 0.9021
80 FXY 0.9020
81 HTX 0.9018
82 GP9 0.9018
83 3PG 0.9016
84 3LR 0.9014
85 2RH 0.9013
86 FEH 0.9010
87 MNN 0.9000
88 EHM 0.9000
89 HE4 0.8999
90 DLY 0.8998
91 VKC 0.8998
92 MET 0.8997
93 ORN 0.8995
94 MAH 0.8988
95 SEP 0.8986
96 263 0.8986
97 MHN 0.8985
98 HSO 0.8984
99 1CO 0.8982
100 N6C 0.8981
101 TEO 0.8979
102 3SL 0.8979
103 I1E 0.8978
104 G3P 0.8978
105 1SH 0.8978
106 5FX 0.8978
107 2EH 0.8977
108 PSJ 0.8975
109 4LR 0.8972
110 SYM 0.8970
111 1GP 0.8970
112 AE3 0.8968
113 G3H 0.8958
114 OOG 0.8953
115 AOS 0.8951
116 GJZ 0.8950
117 GPJ 0.8948
118 TAG 0.8947
119 BHL 0.8946
120 BHL BHL 0.8946
121 ONH 0.8945
122 NLP 0.8942
123 ACA 0.8941
124 2IT 0.8939
125 S2G 0.8939
126 6JN 0.8930
127 PRA 0.8929
128 DZA 0.8929
129 MED 0.8929
130 ROR 0.8924
131 FQI 0.8921
132 OEG 0.8920
133 3MV 0.8919
134 RNT 0.8916
135 NWH 0.8915
136 54D 0.8914
137 GGL 0.8914
138 HY1 0.8913
139 3HG 0.8909
140 SHV 0.8909
141 49F 0.8905
142 PEL 0.8903
143 TZL 0.8902
144 SSB 0.8900
145 9SE 0.8899
146 MLZ 0.8889
147 HYA 0.8887
148 DII 0.8885
149 ASN 0.8885
150 O45 0.8885
151 RB5 0.8884
152 ONL 0.8884
153 QDK 0.8883
154 GLO 0.8882
155 HCS 0.8879
156 LYN 0.8872
157 0VT 0.8871
158 I3E 0.8871
159 7C3 0.8869
160 CUW 0.8869
161 ARG 0.8868
162 B40 0.8865
163 TPO 0.8864
164 ILO 0.8863
165 Q07 0.8862
166 CXF 0.8862
167 6NA 0.8861
168 DAV 0.8859
169 9ON 0.8859
170 OC9 0.8857
171 N4B 0.8856
172 41K 0.8855
173 IP8 0.8852
174 GVM 0.8851
175 BHU 0.8848
176 F9P 0.8847
177 PJL 0.8845
178 M6W 0.8845
179 258 0.8844
180 9J3 0.8843
181 DAL DAL 0.8842
182 RTK 0.8842
183 THE 0.8835
184 PKU 0.8834
185 650 0.8832
186 TPA 0.8828
187 FUD 0.8826
188 SKJ 0.8822
189 1DV 0.8821
190 FBJ 0.8821
191 FBM 0.8818
192 DAR 0.8818
193 MPJ 0.8814
194 NYL 0.8811
195 MTL 0.8807
196 HBU 0.8806
197 SOL 0.8804
198 3YP 0.8804
199 FK8 0.8803
200 GGB 0.8801
201 RB0 0.8797
202 LT1 0.8796
203 A7N 0.8794
204 LFC 0.8794
205 LTL 0.8794
206 CEE 0.8786
207 7MU 0.8782
208 MHO 0.8780
209 271 0.8778
210 KMT 0.8778
211 9YT 0.8776
212 PEA 0.8771
213 KQY 0.8770
214 9YL 0.8767
215 HSM 0.8765
216 GCO 0.8764
217 SDD 0.8763
218 ZBT 0.8763
219 CXP 0.8761
220 8SZ 0.8761
221 OHJ 0.8760
222 CCD 0.8759
223 1N5 0.8755
224 AT3 0.8752
225 3AL 0.8748
226 MPH 0.8747
227 NM3 0.8746
228 LLQ 0.8745
229 UN1 0.8743
230 XBT 0.8739
231 7OD 0.8739
232 264 0.8735
233 069 0.8731
234 2AL 0.8730
235 OPE 0.8726
236 HSE 0.8723
237 NVA 0.8714
238 DYA 0.8711
239 9X7 0.8710
240 FOM 0.8709
241 PBN 0.8706
242 40E 0.8704
243 8K2 0.8702
244 GPF 0.8700
245 LNO 0.8698
246 DLT 0.8697
247 CCE 0.8694
248 Q9Z 0.8689
249 7UC 0.8688
250 DIR 0.8687
251 MSE 0.8687
252 K6H 0.8685
253 CHH 0.8681
254 PO6 0.8679
255 7A8 0.8677
256 DAS 0.8666
257 JZ7 0.8658
258 M44 0.8654
259 OYA 0.8652
260 11C 0.8649
261 HYP 0.8648
262 CS2 0.8638
263 3H2 0.8617
264 DDW 0.8611
265 DI6 0.8589
266 DPF 0.8582
267 CIR 0.8580
268 XYH 0.8569
269 PRO GLY 0.8563
270 9X6 0.8543
271 SN4 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MYJ; Ligand: K6V; 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: 6myj.bio4) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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