Receptor
PDB id Resolution Class Description Source Keywords
1r33 1.8 Å EC: 3.2.1.114 GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH 5-THIO-D-MANNOPYRANO DROSOPHILA MELANOGASTER GLYCOSYL HYDROLASE FAMILY 38 HYDROLASE
Ref.: 5-THIO-D-GLYCOPYRANOSYLAMINES AND THEIR AMIDINIUM S POTENTIAL TRANSITION-STATE MIMICS OF GLYCOSYL HYDRO SYNTHESIS, ENZYME INHIBITORY ACTIVITIES, X-RAY CRYSTALLOGRAPHY, AND MOLECULAR MODELING TETRAHEDRON ASYMMETRY V. 16 1035 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LKA A:1162;
Valid;
none;
ic50 = 0.07 mM
195.237 C6 H13 N O4 S C([C@...
MPD A:1161;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NAG A:1046;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:1163;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EJR 1.27 Å EC: 3.2.1.114 GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH 5-SUBSTITUED SWAI ANALOG: (5R)-5-[2'-OXO-2'-(4-TERT-BUTYLPHENYL)ETHYL]-SWAINS DROSOPHILA MELANOGASTER GH38 GLYCOSIDASE GLYCOSIDASE GOLGI APPARATUS HYDROLASE MMETAL-BINDING SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: STRUCTURAL INVESTIGATION OF THE BINDING OF 5-SUBSTI SWAINSONINE ANALOGUES TO GOLGI ALPHA-MANNOSIDASE II CHEMBIOCHEM V. 11 673 2010
Members (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OW7 ic50 = 14 uM NK2 C8 H15 O2 S C1CC[S@@+]....
2 3D51 Ki = 70 uM GOX C6 H12 N2 O5 C([C@@H]1[....
3 3CV5 - BMA MAN MAN MAN MAN n/a n/a
4 3EJS ic50 = 250 nM HN5 C20 H31 N O3 CC(C)(C)c1....
5 3DX0 Ki = 36 nM MSN C6 H13 N O3 S CS[C@@H]1[....
6 2FYV ic50 = 0.3 mM W72 C11 H21 N O9 C1[C@H]([C....
7 3BVW - YZ0 MAN Z4Y NAG MAN n/a n/a
8 3D4Z Ki = 13 uM GIM C8 H13 N2 O4 c1c[n+]2c(....
9 1TQU ic50 ~ 7.5 mM GHA C9 H18 N O9 S C1C([C@@H]....
10 3DDG Ki = 1 uM GB7 C14 H20 N2 O4 CN1[C@@H](....
11 1PS3 Ki = 5.2 mM KIF C8 H12 N2 O6 C([C@@H]1[....
12 3DX2 Ki = 150 nM MZB C6 H13 N O4 S C[S@@](=O)....
13 2F7O Ki = 0.036 uM MSN C6 H13 N O3 S CS[C@@H]1[....
14 3D52 Ki = 520 uM GHR C13 H16 Cl N3 O6 c1cc(ccc1N....
15 1TQV ic50 ~ 7.5 mM SSE C9 H18 O9 S Se C1[C@H]([C....
16 3EJU ic50 = 250 nM HN7 C20 H29 N O4 CC(C)(C)c1....
17 1HXK ic50 = 400 uM DMJ C6 H13 N O4 C1[C@H]([C....
18 1TQS - SSO C9 H18 O9 S2 C1[C@H]([C....
19 3CZN - NDG BMA MAN MAN NAG MAN MAN n/a n/a
20 2OW6 ic50 = 2 mM NK1 C8 H15 O3 S C1C[C@@H](....
21 3BUP - MAN C6 H12 O6 C([C@@H]1[....
22 3EJT ic50 = 44 nM HN6 C20 H31 N O3 CC(C)(C)c1....
23 3CZS - MAN C6 H12 O6 C([C@@H]1[....
24 3DX1 Ki = 265 uM YHO C5 H11 N O3 C1[C@H]([C....
25 2F7P Ki = 0.249 uM 2SK C13 H19 N O3 S CS[C@@H]1[....
26 3EJP Ki = 2.8 nM HN2 C16 H21 N O4 c1ccc(cc1)....
27 3BVV - YZ0 MAN Z4Y n/a n/a
28 2F18 ic50 = 80 uM GB1 C13 H20 N2 O3 c1ccc(cc1)....
29 3DX4 Ki = 76 nM GOO C6 H13 N O4 CO[C@@H]1[....
30 2F1A ic50 = 720 uM GB2 C13 H20 N2 O3 c1ccc(cc1)....
31 3D4Y Ki = 2 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
32 3DDF Ki = 67 uM GB6 C13 H18 N2 O4 c1ccc(cc1)....
33 1TQT ic50 ~ 7.5 mM SSD C9 H18 O9 S2 C1[C@H]([C....
34 3DX3 Ki = 300 nM YTB C5 H11 N O4 C1([C@H]([....
35 3BUQ - MAN C6 H12 O6 C([C@@H]1[....
36 3EJR Ki = 2.7 nM HN4 C20 H29 N O4 CC(C)(C)c1....
37 1R34 ic50 = 0.9 mM LKS C14 H20 N2 O4 S [H]/N=C(/C....
38 3BVX - YZ0 MAN MAN NAG MAN n/a n/a
39 1HWW ic50 = 20 nM SWA C8 H15 N O3 C1C[C@H]([....
40 3EJQ Ki = 2.7 nM HN3 C17 H23 N O4 Cc1ccc(cc1....
41 3D50 Ki = 17 uM OEV C15 H29 N O4 CCCCCCCCN[....
42 2F1B ic50 = 1000 uM GB3 C14 H22 N2 O3 C[C@@H]1[C....
43 1R33 ic50 = 0.07 mM LKA C6 H13 N O4 S C([C@@H]1[....
44 1TQW ic50 ~ 7.5 mM BLT C9 H18 O9 S Se C1[C@H]([C....
45 3BVT - Z4R MAN n/a n/a
46 3BVU - Z4R MAN MAN n/a n/a
70% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OW7 ic50 = 14 uM NK2 C8 H15 O2 S C1CC[S@@+]....
2 3D51 Ki = 70 uM GOX C6 H12 N2 O5 C([C@@H]1[....
3 3CV5 - BMA MAN MAN MAN MAN n/a n/a
4 3EJS ic50 = 250 nM HN5 C20 H31 N O3 CC(C)(C)c1....
5 3DX0 Ki = 36 nM MSN C6 H13 N O3 S CS[C@@H]1[....
6 2FYV ic50 = 0.3 mM W72 C11 H21 N O9 C1[C@H]([C....
7 3BVW - YZ0 MAN Z4Y NAG MAN n/a n/a
8 3D4Z Ki = 13 uM GIM C8 H13 N2 O4 c1c[n+]2c(....
9 1TQU ic50 ~ 7.5 mM GHA C9 H18 N O9 S C1C([C@@H]....
10 3DDG Ki = 1 uM GB7 C14 H20 N2 O4 CN1[C@@H](....
11 1PS3 Ki = 5.2 mM KIF C8 H12 N2 O6 C([C@@H]1[....
12 3DX2 Ki = 150 nM MZB C6 H13 N O4 S C[S@@](=O)....
13 2F7O Ki = 0.036 uM MSN C6 H13 N O3 S CS[C@@H]1[....
14 3D52 Ki = 520 uM GHR C13 H16 Cl N3 O6 c1cc(ccc1N....
15 1TQV ic50 ~ 7.5 mM SSE C9 H18 O9 S Se C1[C@H]([C....
16 3EJU ic50 = 250 nM HN7 C20 H29 N O4 CC(C)(C)c1....
17 1HXK ic50 = 400 uM DMJ C6 H13 N O4 C1[C@H]([C....
18 1TQS - SSO C9 H18 O9 S2 C1[C@H]([C....
19 3CZN - NDG BMA MAN MAN NAG MAN MAN n/a n/a
20 2OW6 ic50 = 2 mM NK1 C8 H15 O3 S C1C[C@@H](....
21 3BUP - MAN C6 H12 O6 C([C@@H]1[....
22 3EJT ic50 = 44 nM HN6 C20 H31 N O3 CC(C)(C)c1....
23 3CZS - MAN C6 H12 O6 C([C@@H]1[....
24 3DX1 Ki = 265 uM YHO C5 H11 N O3 C1[C@H]([C....
25 2F7P Ki = 0.249 uM 2SK C13 H19 N O3 S CS[C@@H]1[....
26 3EJP Ki = 2.8 nM HN2 C16 H21 N O4 c1ccc(cc1)....
27 3BVV - YZ0 MAN Z4Y n/a n/a
28 2F18 ic50 = 80 uM GB1 C13 H20 N2 O3 c1ccc(cc1)....
29 3DX4 Ki = 76 nM GOO C6 H13 N O4 CO[C@@H]1[....
30 2F1A ic50 = 720 uM GB2 C13 H20 N2 O3 c1ccc(cc1)....
31 3D4Y Ki = 2 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
32 3DDF Ki = 67 uM GB6 C13 H18 N2 O4 c1ccc(cc1)....
33 1TQT ic50 ~ 7.5 mM SSD C9 H18 O9 S2 C1[C@H]([C....
34 3DX3 Ki = 300 nM YTB C5 H11 N O4 C1([C@H]([....
35 3BUQ - MAN C6 H12 O6 C([C@@H]1[....
36 3EJR Ki = 2.7 nM HN4 C20 H29 N O4 CC(C)(C)c1....
37 1R34 ic50 = 0.9 mM LKS C14 H20 N2 O4 S [H]/N=C(/C....
38 3BVX - YZ0 MAN MAN NAG MAN n/a n/a
39 1HWW ic50 = 20 nM SWA C8 H15 N O3 C1C[C@H]([....
40 3EJQ Ki = 2.7 nM HN3 C17 H23 N O4 Cc1ccc(cc1....
41 3D50 Ki = 17 uM OEV C15 H29 N O4 CCCCCCCCN[....
42 2F1B ic50 = 1000 uM GB3 C14 H22 N2 O3 C[C@@H]1[C....
43 1R33 ic50 = 0.07 mM LKA C6 H13 N O4 S C([C@@H]1[....
44 1TQW ic50 ~ 7.5 mM BLT C9 H18 O9 S Se C1[C@H]([C....
45 3BVT - Z4R MAN n/a n/a
46 3BVU - Z4R MAN MAN n/a n/a
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OW7 ic50 = 14 uM NK2 C8 H15 O2 S C1CC[S@@+]....
2 3D51 Ki = 70 uM GOX C6 H12 N2 O5 C([C@@H]1[....
3 3CV5 - BMA MAN MAN MAN MAN n/a n/a
4 3EJS ic50 = 250 nM HN5 C20 H31 N O3 CC(C)(C)c1....
5 3DX0 Ki = 36 nM MSN C6 H13 N O3 S CS[C@@H]1[....
6 2FYV ic50 = 0.3 mM W72 C11 H21 N O9 C1[C@H]([C....
7 3BVW - YZ0 MAN Z4Y NAG MAN n/a n/a
8 3D4Z Ki = 13 uM GIM C8 H13 N2 O4 c1c[n+]2c(....
9 1TQU ic50 ~ 7.5 mM GHA C9 H18 N O9 S C1C([C@@H]....
10 3DDG Ki = 1 uM GB7 C14 H20 N2 O4 CN1[C@@H](....
11 1PS3 Ki = 5.2 mM KIF C8 H12 N2 O6 C([C@@H]1[....
12 3DX2 Ki = 150 nM MZB C6 H13 N O4 S C[S@@](=O)....
13 2F7O Ki = 0.036 uM MSN C6 H13 N O3 S CS[C@@H]1[....
14 3D52 Ki = 520 uM GHR C13 H16 Cl N3 O6 c1cc(ccc1N....
15 1TQV ic50 ~ 7.5 mM SSE C9 H18 O9 S Se C1[C@H]([C....
16 3EJU ic50 = 250 nM HN7 C20 H29 N O4 CC(C)(C)c1....
17 1HXK ic50 = 400 uM DMJ C6 H13 N O4 C1[C@H]([C....
18 1TQS - SSO C9 H18 O9 S2 C1[C@H]([C....
19 3CZN - NDG BMA MAN MAN NAG MAN MAN n/a n/a
20 2OW6 ic50 = 2 mM NK1 C8 H15 O3 S C1C[C@@H](....
21 3BUP - MAN C6 H12 O6 C([C@@H]1[....
22 3EJT ic50 = 44 nM HN6 C20 H31 N O3 CC(C)(C)c1....
23 3CZS - MAN C6 H12 O6 C([C@@H]1[....
24 3DX1 Ki = 265 uM YHO C5 H11 N O3 C1[C@H]([C....
25 2F7P Ki = 0.249 uM 2SK C13 H19 N O3 S CS[C@@H]1[....
26 3EJP Ki = 2.8 nM HN2 C16 H21 N O4 c1ccc(cc1)....
27 3BVV - YZ0 MAN Z4Y n/a n/a
28 2F18 ic50 = 80 uM GB1 C13 H20 N2 O3 c1ccc(cc1)....
29 3DX4 Ki = 76 nM GOO C6 H13 N O4 CO[C@@H]1[....
30 2F1A ic50 = 720 uM GB2 C13 H20 N2 O3 c1ccc(cc1)....
31 3D4Y Ki = 2 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
32 3DDF Ki = 67 uM GB6 C13 H18 N2 O4 c1ccc(cc1)....
33 1TQT ic50 ~ 7.5 mM SSD C9 H18 O9 S2 C1[C@H]([C....
34 3DX3 Ki = 300 nM YTB C5 H11 N O4 C1([C@H]([....
35 3BUQ - MAN C6 H12 O6 C([C@@H]1[....
36 3EJR Ki = 2.7 nM HN4 C20 H29 N O4 CC(C)(C)c1....
37 1R34 ic50 = 0.9 mM LKS C14 H20 N2 O4 S [H]/N=C(/C....
38 3BVX - YZ0 MAN MAN NAG MAN n/a n/a
39 1HWW ic50 = 20 nM SWA C8 H15 N O3 C1C[C@H]([....
40 3EJQ Ki = 2.7 nM HN3 C17 H23 N O4 Cc1ccc(cc1....
41 3D50 Ki = 17 uM OEV C15 H29 N O4 CCCCCCCCN[....
42 2F1B ic50 = 1000 uM GB3 C14 H22 N2 O3 C[C@@H]1[C....
43 1R33 ic50 = 0.07 mM LKA C6 H13 N O4 S C([C@@H]1[....
44 1TQW ic50 ~ 7.5 mM BLT C9 H18 O9 S Se C1[C@H]([C....
45 3BVT - Z4R MAN n/a n/a
46 3BVU - Z4R MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LKA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LKA 1 1
2 GLT 0.428571 0.756757
Similar Ligands (3D)
Ligand no: 1; Ligand: LKA; Similar ligands found: 842
No: Ligand Similarity coefficient
1 MAN 0.9864
2 GCS 0.9790
3 GLC 0.9771
4 G3F 0.9746
5 BGC 0.9746
6 MMA 0.9720
7 SHG 0.9704
8 LGC 0.9670
9 8S0 0.9636
10 BMA 0.9606
11 DMJ 0.9580
12 2H5 0.9544
13 GAL 0.9517
14 GLF 0.9486
15 PFB 0.9468
16 95Z 0.9461
17 15L 0.9456
18 82I 0.9456
19 IFL 0.9456
20 BDP 0.9449
21 EXO 0.9443
22 3MG 0.9438
23 KBG 0.9430
24 GCU 0.9427
25 GCB 0.9419
26 CWS 0.9418
27 5MK 0.9417
28 EVA 0.9415
29 G5V 0.9411
30 ZWZ 0.9411
31 PA1 0.9409
32 54G 0.9405
33 GTQ 0.9403
34 XXR 0.9402
35 5M0 0.9401
36 DPZ 0.9399
37 KUF 0.9395
38 5RG 0.9389
39 B60 0.9388
40 8CM 0.9385
41 0P6 0.9384
42 G2F 0.9383
43 PXL 0.9379
44 MAQ 0.9377
45 SX1 0.9375
46 TEP 0.9365
47 3IT 0.9364
48 7VS 0.9360
49 7D2 0.9359
50 APZ 0.9353
51 X6X 0.9344
52 209 0.9343
53 9TZ 0.9343
54 B57 0.9341
55 5WY 0.9339
56 FOT 0.9338
57 SOR 0.9338
58 WOO 0.9336
59 FHN 0.9336
60 PYQ 0.9334
61 IV2 0.9333
62 2FG 0.9332
63 39A 0.9328
64 NOJ 0.9323
65 TFU 0.9320
66 GYP 0.9320
67 FRU 0.9317
68 I3A 0.9315
69 4AA 0.9312
70 ALL 0.9312
71 GOX 0.9304
72 GLA 0.9303
73 CLZ 0.9299
74 PE0 0.9299
75 A7W 0.9297
76 JBQ 0.9295
77 UNC 0.9294
78 948 0.9290
79 BCF 0.9290
80 G6D 0.9288
81 M1E 0.9287
82 H33 0.9284
83 2D0 0.9283
84 NDM 0.9280
85 1P7 0.9278
86 HFB 0.9276
87 MEW 0.9274
88 3DO 0.9274
89 1GN 0.9274
90 N8Y 0.9272
91 6CS 0.9271
92 DIN 0.9264
93 SYA 0.9264
94 BBF 0.9262
95 AZ8 0.9261
96 IJZ 0.9261
97 7HQ 0.9260
98 37T 0.9259
99 IFM 0.9254
100 IBF 0.9253
101 G1O 0.9249
102 9MG 0.9244
103 3WA 0.9243
104 23A 0.9242
105 PCI 0.9242
106 INS 0.9239
107 NOY 0.9239
108 LZM 0.9239
109 KT7 0.9238
110 94B 0.9235
111 MRW 0.9235
112 149 0.9234
113 ISE 0.9228
114 AQO 0.9228
115 42A 0.9226
116 J9W 0.9223
117 DQN 0.9221
118 5CL 0.9220
119 M0W 0.9219
120 COU 0.9218
121 M5K 0.9217
122 M0Q 0.9215
123 CFF 0.9215
124 UAN 0.9214
125 KJY 0.9214
126 Q24 0.9214
127 KIB 0.9213
128 DRL 0.9213
129 YIO 0.9212
130 GXL 0.9211
131 3RK 0.9207
132 12B 0.9207
133 CWM 0.9207
134 Q88 0.9205
135 ZB1 0.9205
136 Q6T 0.9204
137 4XV 0.9204
138 86J 0.9204
139 4HC 0.9203
140 03V 0.9200
141 MFU 0.9198
142 NID 0.9197
143 AJ2 0.9196
144 HLZ 0.9195
145 GCW 0.9191
146 E7Z 0.9191
147 FDK 0.9190
148 LCN 0.9190
149 F3B 0.9188
150 7ZE 0.9186
151 C2U 0.9184
152 HJP 0.9184
153 AKH 0.9183
154 MUA 0.9183
155 MBG 0.9183
156 FH2 0.9183
157 EA1 0.9181
158 FUL 0.9180
159 2ZQ 0.9180
160 HMU 0.9178
161 NQ 0.9176
162 5QX 0.9175
163 BEA 0.9175
164 BDF 0.9173
165 YSO 0.9173
166 DHQ 0.9173
167 ES0 0.9170
168 4XS 0.9170
169 GAF 0.9169
170 GDE 0.9169
171 HQT 0.9168
172 5B1 0.9166
173 680 0.9165
174 DBH 0.9164
175 ES5 0.9163
176 JTH 0.9163
177 OCH 0.9161
178 64K 0.9161
179 ASO 0.9160
180 AZA 0.9160
181 FDB 0.9158
182 GJS 0.9157
183 VK3 0.9157
184 2HQ 0.9157
185 32X 0.9154
186 JB5 0.9154
187 67N 0.9153
188 3HA 0.9152
189 RXA 0.9151
190 7W1 0.9151
191 7NI 0.9150
192 HKD 0.9150
193 4FS 0.9149
194 XQ0 0.9149
195 RNS 0.9148
196 JUG 0.9147
197 AJV 0.9147
198 5OB 0.9144
199 GTR 0.9142
200 P3K 0.9141
201 2AQ 0.9140
202 XYP 0.9139
203 HQY 0.9137
204 MNM 0.9137
205 AFR 0.9135
206 TTY 0.9135
207 YH7 0.9134
208 GUN 0.9134
209 SKM 0.9134
210 9DG 0.9133
211 ZVO 0.9133
212 SKA 0.9132
213 42C 0.9131
214 25W 0.9130
215 1NP 0.9127
216 GM7 0.9127
217 5IQ 0.9127
218 FLV 0.9126
219 FYU 0.9126
220 2AK 0.9126
221 M1H 0.9126
222 5WV 0.9126
223 EJZ 0.9126
224 N5J 0.9126
225 HNQ 0.9123
226 IGA 0.9122
227 B0D 0.9122
228 DEE 0.9120
229 JPZ 0.9119
230 4YS 0.9119
231 LXC 0.9118
232 LSA 0.9118
233 8XQ 0.9117
234 ES1 0.9117
235 BZ3 0.9116
236 SRO 0.9116
237 3F0 0.9116
238 EYK 0.9115
239 6AP 0.9115
240 JBH 0.9115
241 DBJ 0.9115
242 HQD 0.9115
243 RAM 0.9114
244 H42 0.9114
245 7B4 0.9113
246 HX3 0.9113
247 1SQ 0.9112
248 PRF 0.9112
249 GXY 0.9110
250 JBK 0.9110
251 FA0 0.9110
252 UFO 0.9109
253 5SG 0.9109
254 8H8 0.9109
255 7VJ 0.9108
256 BHA 0.9108
257 5Q0 0.9107
258 MIG 0.9107
259 1WG 0.9107
260 QBK 0.9106
261 ZZT 0.9106
262 1LQ 0.9106
263 4M0 0.9106
264 V55 0.9105
265 3Z8 0.9105
266 BNT 0.9104
267 4Z4 0.9104
268 3M0 0.9103
269 M1Q 0.9100
270 12Q 0.9100
271 F0J 0.9099
272 CN0 0.9098
273 AMG 0.9097
274 SOE 0.9097
275 PXM 0.9097
276 MA3 0.9096
277 DOB 0.9093
278 ICO 0.9092
279 5XC 0.9092
280 7W4 0.9091
281 BOA 0.9088
282 1XM 0.9088
283 0CU 0.9087
284 B62 0.9086
285 FGZ 0.9085
286 UQ 0.9084
287 1LM 0.9082
288 ADZ 0.9081
289 PQ0 0.9081
290 495 0.9080
291 AZG 0.9079
292 HMH 0.9079
293 O72 0.9079
294 KJH 0.9077
295 4MU 0.9076
296 226 0.9076
297 24W 0.9075
298 XAN 0.9075
299 XAZ 0.9074
300 6M9 0.9070
301 TOF 0.9069
302 141 0.9068
303 4HM 0.9068
304 SXS 0.9067
305 AZ9 0.9067
306 KIA 0.9067
307 HH8 0.9067
308 0N7 0.9065
309 G4D 0.9063
310 293 0.9062
311 FE DB1 0.9061
312 UEG 0.9061
313 SAL 0.9060
314 F5B 0.9060
315 A2F 0.9058
316 9PY 0.9056
317 5NU 0.9055
318 M1A 0.9055
319 329 0.9054
320 ISN 0.9051
321 D07 0.9051
322 XHP 0.9050
323 HZQ 0.9049
324 I1N 0.9048
325 BZX 0.9048
326 N2I 0.9048
327 DNF 0.9046
328 MO8 0.9046
329 3MA 0.9045
330 FX1 0.9044
331 5CU 0.9044
332 XQG 0.9044
333 45C 0.9044
334 L7T 0.9044
335 INE 0.9043
336 ADA 0.9041
337 3Z7 0.9041
338 92K 0.9039
339 0RW 0.9039
340 M2K 0.9039
341 JAE 0.9037
342 2CQ 0.9036
343 5RN 0.9033
344 FP1 0.9032
345 3MB 0.9031
346 3R6 0.9030
347 MT0 0.9030
348 4XH 0.9030
349 SYV 0.9029
350 5NE 0.9029
351 KOJ 0.9029
352 JND 0.9028
353 290 0.9027
354 6AI 0.9027
355 8WT 0.9027
356 QAS 0.9026
357 F81 0.9024
358 F05 0.9023
359 KKN 0.9022
360 QSH 0.9022
361 URC 0.9021
362 KGK 0.9021
363 GOG 0.9018
364 3HB 0.9017
365 TAR 0.9016
366 DHK 0.9016
367 DIG 0.9016
368 4ME 0.9016
369 DX4 0.9015
370 GOO 0.9014
371 OVM 0.9013
372 GCO 0.9012
373 4ZC 0.9011
374 OTW 0.9010
375 5DI 0.9008
376 NDH 0.9008
377 150 0.9008
378 DIU 0.9008
379 ES7 0.9008
380 8ZE 0.9006
381 QX4 0.9006
382 GRE 0.9005
383 23J 0.9004
384 8W9 0.9004
385 14O 0.9003
386 5H1 0.9003
387 PHH 0.9002
388 B53 0.9002
389 35C 0.9001
390 NTZ 0.9001
391 7WR 0.9000
392 FCB 0.9000
393 BE2 0.8999
394 QAT 0.8999
395 AZF 0.8999
396 2ZV 0.8998
397 EMZ 0.8998
398 75K 0.8997
399 BK9 0.8997
400 HHA 0.8997
401 T6C 0.8996
402 MT5 0.8995
403 BTE 0.8995
404 GTL 0.8994
405 OA3 0.8993
406 7MH 0.8993
407 DQU 0.8993
408 0FO 0.8993
409 KBB 0.8993
410 K32 0.8992
411 DBX 0.8992
412 GIV 0.8991
413 ARB 0.8991
414 7CZ 0.8990
415 FUC 0.8989
416 EUG 0.8989
417 4M4 0.8989
418 44W 0.8988
419 5JQ 0.8986
420 RBL 0.8986
421 RM1 0.8985
422 1KH 0.8984
423 5MB 0.8983
424 BP1 0.8982
425 BCP 0.8981
426 CFP 0.8979
427 YQA 0.8978
428 MVN 0.8977
429 TBS 0.8977
430 CTL 0.8974
431 BCU 0.8974
432 9EW 0.8973
433 2LY 0.8973
434 B55 0.8971
435 2MN 0.8970
436 G3E 0.8969
437 5MI 0.8968
438 F60 0.8968
439 CTS 0.8967
440 X05 0.8967
441 DFB 0.8967
442 3U4 0.8966
443 GIO 0.8965
444 1XN 0.8964
445 2FQ 0.8964
446 RIP 0.8963
447 FBB 0.8962
448 K17 0.8961
449 K22 0.8959
450 MYJ 0.8959
451 92P 0.8958
452 KPL 0.8956
453 LI6 0.8955
454 3RI 0.8955
455 8TX 0.8955
456 C2Y 0.8954
457 DGJ 0.8954
458 ES9 0.8954
459 GTZ 0.8953
460 5JL 0.8953
461 ORO 0.8952
462 2A7 0.8952
463 HXX 0.8951
464 5WX 0.8950
465 MS9 0.8950
466 6F0 0.8943
467 PH2 0.8941
468 CHB 0.8940
469 5RO 0.8940
470 BTY 0.8940
471 F1A 0.8939
472 11S 0.8939
473 3OC 0.8938
474 1DW 0.8938
475 7B3 0.8938
476 PYD 0.8936
477 2EC 0.8935
478 PDC 0.8934
479 4JT 0.8933
480 QDK 0.8933
481 XYS 0.8931
482 TVP 0.8931
483 6ME 0.8931
484 TC7 0.8931
485 MHK 0.8930
486 9KT 0.8930
487 44V 0.8928
488 R8V 0.8927
489 XUL 0.8926
490 XYL 0.8926
491 ASC 0.8924
492 2K4 0.8924
493 MWP 0.8924
494 BHO 0.8924
495 HPA 0.8923
496 MVL 0.8923
497 RPQ 0.8921
498 6MP 0.8921
499 GAB 0.8921
500 RIB 0.8920
501 3NT 0.8920
502 PAF 0.8919
503 FB1 0.8918
504 3DM 0.8917
505 RM4 0.8917
506 ES6 0.8916
507 LYL 0.8916
508 NGO 0.8914
509 XLS 0.8914
510 DHB 0.8913
511 4A3 0.8912
512 NIZ 0.8912
513 NVU 0.8911
514 4SV 0.8911
515 JZ3 0.8911
516 261 0.8910
517 FHB 0.8909
518 LT2 0.8908
519 URQ 0.8906
520 S76 0.8906
521 8GC 0.8906
522 XX2 0.8906
523 H4N 0.8906
524 4NC 0.8906
525 QPR 0.8905
526 DNC 0.8904
527 MZB 0.8904
528 P9P 0.8901
529 NNO 0.8899
530 OXZ 0.8899
531 06B 0.8899
532 MFB 0.8899
533 HHR 0.8898
534 ABV 0.8898
535 7WA 0.8898
536 ADE 0.8897
537 IF7 0.8897
538 MR1 0.8895
539 K3Q 0.8894
540 JFD 0.8894
541 6VD 0.8894
542 FK1 0.8894
543 F4Z 0.8893
544 7WV 0.8893
545 2HO 0.8893
546 TTL 0.8893
547 REL 0.8892
548 0R0 0.8892
549 GLO 0.8891
550 QSB 0.8891
551 TH7 0.8890
552 LDP 0.8889
553 D1X 0.8889
554 1WD 0.8888
555 1M2 0.8888
556 PM6 0.8887
557 0TR 0.8885
558 ARA 0.8885
559 18N 0.8884
560 10L 0.8883
561 Q7A 0.8882
562 DMD 0.8881
563 93K 0.8880
564 GLY PRO 0.8880
565 4XR 0.8879
566 SJ5 0.8879
567 3AB 0.8878
568 8IG 0.8878
569 K2T 0.8878
570 8GK 0.8878
571 FSW 0.8876
572 R9Y 0.8874
573 OVV 0.8874
574 F9Y 0.8873
575 SE2 0.8871
576 270 0.8871
577 AX7 0.8871
578 F12 0.8869
579 2LP 0.8869
580 3BZ 0.8868
581 X09 0.8867
582 PRZ 0.8866
583 2GS 0.8865
584 3ID 0.8865
585 NMJ 0.8864
586 HA7 0.8863
587 091 0.8860
588 DFU 0.8860
589 KJU 0.8860
590 9HX 0.8859
591 JXN 0.8859
592 IHB 0.8859
593 JU2 0.8858
594 IPB 0.8858
595 XYD 0.8857
596 4JQ 0.8857
597 1KP 0.8857
598 MQN 0.8855
599 FA3 0.8855
600 ZYR 0.8854
601 7HP 0.8853
602 DIE 0.8853
603 AHR 0.8852
604 OW4 0.8852
605 2KA 0.8852
606 X8D 0.8852
607 1X7 0.8852
608 INO 0.8851
609 KFH 0.8851
610 2A9 0.8851
611 5HN 0.8851
612 OXC 0.8850
613 F31 0.8849
614 TBP 0.8849
615 4TU 0.8849
616 9TW 0.8849
617 HBA 0.8849
618 MSN 0.8847
619 0FK 0.8847
620 9DA 0.8846
621 HTP 0.8846
622 2FY 0.8845
623 FCA 0.8845
624 SWA 0.8845
625 6M4 0.8844
626 3HM 0.8844
627 J5I 0.8843
628 2CZ 0.8842
629 DNA 0.8842
630 39O 0.8842
631 HH5 0.8841
632 XXP 0.8840
633 DQA 0.8840
634 NK 0.8840
635 53C 0.8835
636 DOR 0.8834
637 8HC 0.8834
638 NPY 0.8833
639 CGB 0.8832
640 8NY 0.8830
641 ET2 0.8830
642 FDR 0.8829
643 24B 0.8828
644 2CK 0.8828
645 SHA 0.8827
646 BRT 0.8827
647 FUF 0.8826
648 NTM 0.8826
649 0MK 0.8825
650 VOH 0.8825
651 7ME 0.8824
652 34D 0.8822
653 HIO 0.8821
654 4KL 0.8821
655 SVN 0.8821
656 KLW 0.8820
657 1U6 0.8819
658 0W8 0.8819
659 NCD 0.8819
660 0TU 0.8817
661 TSS 0.8815
662 GCV 0.8814
663 GMN 0.8813
664 1P8 0.8813
665 PHT 0.8812
666 SFU 0.8811
667 FBV 0.8810
668 4YO 0.8810
669 6BL 0.8810
670 AW5 0.8809
671 NGT 0.8809
672 NGW 0.8809
673 LZ2 0.8806
674 QUZ 0.8803
675 3C2 0.8802
676 8OZ 0.8801
677 TGX 0.8800
678 K6X 0.8800
679 6RQ 0.8798
680 6M1 0.8797
681 EV0 0.8797
682 3A9 0.8796
683 57O 0.8796
684 VNL 0.8795
685 APS 0.8794
686 CFI 0.8793
687 JKE 0.8793
688 AS3 0.8792
689 6LW 0.8788
690 UFV 0.8788
691 TDR 0.8787
692 ES2 0.8787
693 AEZ 0.8787
694 Q77 0.8786
695 ABE 0.8786
696 2BG 0.8785
697 9R5 0.8785
698 ISZ 0.8784
699 ESI 0.8784
700 FBT 0.8783
701 H5B 0.8782
702 KYA 0.8780
703 VGD 0.8780
704 ZZ3 0.8780
705 ES4 0.8780
706 CLW 0.8779
707 36R 0.8778
708 GT0 0.8777
709 4P0 0.8774
710 5NI 0.8774
711 2AC 0.8773
712 0LH 0.8772
713 0FN 0.8771
714 MCT 0.8767
715 PYG 0.8767
716 GIM 0.8767
717 VNJ 0.8766
718 0HO 0.8765
719 XIY 0.8762
720 3CE 0.8762
721 URF 0.8762
722 I6G 0.8760
723 NSP 0.8759
724 GV9 0.8755
725 PQK 0.8753
726 6NI 0.8753
727 F34 0.8752
728 3FH 0.8752
729 TLA 0.8751
730 PSV 0.8750
731 43M 0.8750
732 JIF 0.8750
733 286 0.8750
734 5GU 0.8748
735 FBG 0.8747
736 SPD 0.8745
737 HA5 0.8744
738 IT9 0.8744
739 JXW 0.8743
740 5VM 0.8743
741 1F1 0.8742
742 8WO 0.8741
743 3XX 0.8739
744 WBU 0.8739
745 TH0 0.8736
746 0JD 0.8735
747 M5N 0.8734
748 1QP 0.8730
749 1U1 0.8729
750 GIF 0.8728
751 HDL 0.8726
752 5JC 0.8723
753 MXN 0.8722
754 3C1 0.8722
755 XX3 0.8721
756 PD2 0.8720
757 OMD 0.8716
758 9FE 0.8715
759 B5D 0.8713
760 5NS 0.8713
761 3SK 0.8712
762 K5W 0.8711
763 15N 0.8711
764 KP6 0.8710
765 LNR 0.8709
766 O2A 0.8708
767 ODO 0.8703
768 J9Q 0.8703
769 AGK 0.8701
770 KTW 0.8700
771 ZXD 0.8700
772 2XX 0.8699
773 AIN 0.8697
774 KYD 0.8693
775 CKX 0.8685
776 GYE 0.8685
777 V1T 0.8684
778 GJP 0.8683
779 PX7 0.8683
780 PBR 0.8680
781 0HN 0.8679
782 4RU 0.8674
783 EKZ 0.8672
784 717 0.8672
785 IPZ 0.8671
786 12M 0.8670
787 97T 0.8668
788 4VP 0.8668
789 QIC 0.8667
790 173 0.8665
791 H6B 0.8659
792 D3M 0.8657
793 AH8 0.8655
794 H76 0.8654
795 JB8 0.8653
796 R8A 0.8651
797 FAN 0.8648
798 4VY 0.8645
799 2AL 0.8643
800 NBG 0.8642
801 6KX 0.8642
802 KTA 0.8637
803 YRL 0.8637
804 OVP 0.8636
805 52C 0.8634
806 XM0 0.8634
807 N8P 0.8634
808 20J 0.8633
809 DHY 0.8630
810 3GQ 0.8626
811 IP0 0.8623
812 ROR 0.8623
813 0W1 0.8618
814 IDH 0.8615
815 PBA 0.8615
816 J9T 0.8613
817 7MX 0.8611
818 Z6J 0.8610
819 JFJ 0.8607
820 45L 0.8607
821 2CL 0.8605
822 4CS 0.8602
823 4RW 0.8602
824 3NY 0.8600
825 069 0.8597
826 BZJ 0.8592
827 RMN 0.8590
828 A13 0.8587
829 42J 0.8585
830 Q71 0.8584
831 51R 0.8581
832 9KH 0.8580
833 NPO 0.8573
834 SRT 0.8571
835 IFP 0.8557
836 X0V 0.8553
837 FIX 0.8549
838 IDM 0.8537
839 SF9 0.8526
840 FPK 0.8521
841 0F9 0.8520
842 AX3 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EJR; Ligand: HN4; 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: 3ejr.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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