Receptor
PDB id Resolution Class Description Source Keywords
3dx1 1.21 Å EC: 3.2.1.114 GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH MANNOSTATIN ANALO 3R,4R)-4-AMINOCYCLOPENTANE-1,2,3-TRIOL DROSOPHILA MELANOGASTER GH38 GLYCOSIDASE GLYCOSIDASE GOLGI APPARATUS HYDROLASE MMETAL-BINDING SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: THE MOLECULAR BASIS OF INHIBITION OF GOLGI ALPHA-MA II BY MANNOSTATIN A. CHEMBIOCHEM V. 10 268 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRD A:1049;
 Invalid;
 none;
 submit data
118.174 C6 H14 O2 C[C@H...
NAG A:1046;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
PO4 A:1047;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
YHO A:1050;
 Valid;
 none;
 Ki = 265 uM
133.146 C5 H11 N O3 C1[C@...
ZN A:1048;
 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: YHO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 YHO 1 1
2 25W 0.636364 0.903226
Similar Ligands (3D)
Ligand no: 1; Ligand: YHO; Similar ligands found: 711
No: Ligand Similarity coefficient
1 YTB 0.9693
2 HPY 0.9560
3 H3M 0.9555
4 0MK 0.9518
5 CAQ 0.9516
6 CRS 0.9513
7 HGQ 0.9468
8 RIB 0.9463
9 PYG 0.9446
10 RIP 0.9443
11 XYP 0.9436
12 XYS 0.9435
13 AGK 0.9430
14 6HQ 0.9425
15 FPY 0.9421
16 MLT 0.9415
17 IPH 0.9410
18 L89 0.9393
19 AHR 0.9391
20 LDU 0.9390
21 FP2 0.9389
22 PYD 0.9388
23 ICP 0.9388
24 1AN 0.9386
25 MWM 0.9384
26 2AF 0.9371
27 76X 0.9370
28 WBU 0.9369
29 0TR 0.9368
30 CYT 0.9366
31 92Z 0.9366
32 3ZQ 0.9366
33 BEW 0.9366
34 40O 0.9364
35 URF 0.9364
36 JZ0 0.9363
37 93Q 0.9363
38 LG3 0.9362
39 MB3 0.9362
40 A1U 0.9360
41 4HO 0.9360
42 8LG 0.9360
43 3CH 0.9360
44 26D 0.9358
45 285 0.9358
46 URA 0.9353
47 4ZE 0.9352
48 XBZ 0.9351
49 8GF 0.9348
50 OXE 0.9345
51 1MC 0.9345
52 QOS 0.9345
53 BVF 0.9345
54 TDR 0.9342
55 GIF 0.9342
56 JZ3 0.9342
57 KSW 0.9336
58 64K 0.9335
59 275 0.9332
60 2MP 0.9331
61 RCO 0.9330
62 3MC 0.9328
63 2AC 0.9326
64 MCT 0.9326
65 0R0 0.9323
66 34A 0.9322
67 FCA 0.9319
68 5UC 0.9319
69 LG5 0.9319
70 ABE 0.9319
71 4DX 0.9313
72 RSF 0.9311
73 DUC 0.9310
74 5MH 0.9310
75 XYD 0.9306
76 ARA 0.9305
77 3XX 0.9303
78 DFU 0.9302
79 THR 0.9301
80 CIG 0.9301
81 938 0.9298
82 R8A 0.9294
83 1XX 0.9293
84 2CH 0.9289
85 FUF 0.9286
86 7EX 0.9281
87 MZG 0.9280
88 2YU 0.9280
89 NK 0.9279
90 TM7 0.9279
91 4CL 0.9278
92 CXL 0.9278
93 MRY 0.9276
94 LER 0.9275
95 HTS 0.9275
96 43M 0.9272
97 HBX 0.9272
98 Z6J 0.9270
99 JZ1 0.9268
100 MLI 0.9263
101 284 0.9262
102 4JJ 0.9254
103 SYN 0.9251
104 ECE 0.9249
105 TH0 0.9249
106 CYH 0.9248
107 V1L 0.9248
108 RP7 0.9248
109 MLA 0.9247
110 VAL 0.9246
111 CEJ 0.9243
112 4H2 0.9243
113 JZ2 0.9243
114 A2Q 0.9242
115 TMZ 0.9241
116 BR9 0.9241
117 SEJ 0.9241
118 HT4 0.9239
119 EDG 0.9239
120 GVH 0.9235
121 PAV 0.9234
122 4XX 0.9233
123 M3T 0.9231
124 B3R 0.9227
125 27Y 0.9227
126 5JC 0.9225
127 NCM 0.9222
128 HEW 0.9218
129 DEN 0.9217
130 TMT 0.9217
131 3SY 0.9215
132 MBN 0.9208
133 3FA 0.9208
134 47J 0.9207
135 2DR 0.9207
136 23W 0.9206
137 MWJ 0.9206
138 DGJ 0.9202
139 IDM 0.9201
140 4AX 0.9200
141 ASP 0.9200
142 ICC 0.9200
143 J1Z 0.9199
144 0R1 0.9198
145 HRZ 0.9198
146 2C9 0.9198
147 9PO 0.9198
148 YAN 0.9197
149 LXC 0.9193
150 HVK 0.9191
151 IUR 0.9191
152 FFP 0.9190
153 2AP 0.9190
154 MBD 0.9190
155 THE 0.9187
156 4AP 0.9187
157 BZF 0.9185
158 GMN 0.9184
159 3AP 0.9184
160 PRO 0.9184
161 4JO 0.9179
162 LGA 0.9178
163 ARB 0.9177
164 WOT 0.9175
165 GXE 0.9175
166 2IM 0.9174
167 TM4 0.9174
168 FUC 0.9170
169 286 0.9169
170 0CT 0.9169
171 1MR 0.9169
172 2MY 0.9165
173 1PT 0.9164
174 IDH 0.9164
175 HPA 0.9163
176 HQE 0.9162
177 6MH 0.9162
178 IF7 0.9160
179 BDR 0.9158
180 24T 0.9157
181 282 0.9156
182 DA1 0.9153
183 FUL 0.9153
184 KIV 0.9152
185 HHQ 0.9151
186 DUB 0.9150
187 FLM 0.9150
188 6X8 0.9148
189 23A 0.9148
190 DTI 0.9147
191 2CM 0.9147
192 L60 0.9147
193 LG4 0.9143
194 3CE 0.9143
195 8CL 0.9143
196 4CH 0.9143
197 BZX 0.9141
198 93B 0.9141
199 LZ1 0.9140
200 2KT 0.9140
201 DAB 0.9138
202 IND 0.9135
203 KPL 0.9135
204 ALO 0.9132
205 IMR 0.9131
206 6UA 0.9129
207 FPI 0.9129
208 BZI 0.9129
209 R2B 0.9128
210 R1X 0.9128
211 HSL 0.9126
212 CP 0.9126
213 PRS 0.9125
214 2MH 0.9116
215 HAI 0.9112
216 4JP 0.9112
217 2XX 0.9109
218 ILE 0.9108
219 VAH 0.9105
220 PAF 0.9104
221 TLD 0.9104
222 PCR 0.9102
223 6LW 0.9100
224 GAL 0.9099
225 3MH 0.9098
226 PYF 0.9097
227 BAE 0.9096
228 TFB 0.9094
229 7CZ 0.9093
230 7HP 0.9091
231 LRH 0.9091
232 IFM 0.9088
233 KOJ 0.9086
234 34V 0.9083
235 WTZ 0.9083
236 PTO 0.9081
237 4JU 0.9081
238 Y8I 0.9081
239 278 0.9081
240 GOO 0.9081
241 QFH 0.9080
242 MMZ 0.9080
243 NBE 0.9079
244 MPI 0.9079
245 TLA 0.9077
246 25R 0.9077
247 1AB 0.9077
248 280 0.9075
249 HHN 0.9075
250 TNE 0.9074
251 SAL 0.9073
252 XXR 0.9072
253 DFB 0.9070
254 TTO 0.9070
255 OXZ 0.9068
256 AZF 0.9066
257 RUU 0.9066
258 DPR 0.9065
259 C5J 0.9062
260 HYN 0.9061
261 PLQ 0.9060
262 BTE 0.9057
263 3PY 0.9056
264 FPN 0.9056
265 ABN 0.9056
266 BEZ 0.9056
267 MAK 0.9055
268 SER 0.9051
269 APY 0.9050
270 FPK 0.9049
271 HZP 0.9047
272 NVI 0.9047
273 TMH 0.9046
274 ABA 0.9046
275 TAR 0.9044
276 HUI 0.9043
277 6M4 0.9042
278 MNM 0.9041
279 AMC 0.9041
280 ASN 0.9041
281 3Z7 0.9040
282 9CL 0.9039
283 JZ9 0.9039
284 PBE 0.9038
285 4HS 0.9034
286 9YL 0.9032
287 2RA 0.9031
288 PY7 0.9029
289 BE2 0.9028
290 XUL 0.9028
291 32O 0.9027
292 8EZ 0.9027
293 P3K 0.9026
294 MAN 0.9026
295 KG7 0.9025
296 PXY 0.9024
297 NBZ 0.9023
298 NIO 0.9023
299 DTL 0.9023
300 6MP 0.9023
301 DMG 0.9022
302 L3Q 0.9021
303 XIX 0.9020
304 94N 0.9019
305 PCA 0.9019
306 AKB 0.9018
307 CIZ 0.9016
308 UYA 0.9015
309 HY3 0.9014
310 ADE 0.9012
311 FUB 0.9011
312 CAM 0.9010
313 CYS 0.9010
314 FLA 0.9010
315 9DA 0.9010
316 LMR 0.9008
317 PYJ 0.9007
318 PAE 0.9006
319 OAA 0.9006
320 9HX 0.9005
321 PIH 0.9003
322 DMV 0.9001
323 2PC 0.9000
324 F05 0.9000
325 9TY 0.9000
326 C2A 0.8998
327 DMI 0.8996
328 N8P 0.8996
329 BEN 0.8996
330 ES6 0.8992
331 6AI 0.8991
332 T6C 0.8991
333 SRT 0.8989
334 SMV 0.8989
335 270 0.8989
336 DSN 0.8989
337 SMB 0.8988
338 B24 0.8984
339 3U4 0.8983
340 NCA 0.8981
341 4XR 0.8981
342 25T 0.8981
343 DBB 0.8980
344 A3B 0.8980
345 150 0.8980
346 BML 0.8977
347 DXX 0.8976
348 9EW 0.8976
349 H76 0.8976
350 ARW 0.8974
351 FCB 0.8972
352 FYU 0.8971
353 DMJ 0.8970
354 CGB 0.8969
355 HBA 0.8966
356 G4D 0.8965
357 XLS 0.8965
358 23B 0.8964
359 ES4 0.8962
360 URQ 0.8961
361 DAS 0.8961
362 CHT 0.8960
363 HIU 0.8960
364 SR1 0.8958
365 DZX 0.8957
366 RM4 0.8957
367 10L 0.8957
368 GBD 0.8957
369 2CK 0.8956
370 QUZ 0.8956
371 4JN 0.8955
372 1LN 0.8953
373 MLM 0.8953
374 6PC 0.8952
375 JBN 0.8950
376 BAQ 0.8950
377 HMH 0.8948
378 HGW 0.8948
379 1WG 0.8947
380 7WA 0.8947
381 DGY 0.8946
382 192 0.8946
383 MZ0 0.8943
384 CRN 0.8942
385 G2F 0.8942
386 BDF 0.8941
387 AX2 0.8940
388 HLR 0.8940
389 HIO 0.8940
390 OXQ 0.8939
391 9X7 0.8937
392 4HM 0.8936
393 5ZE 0.8933
394 39J 0.8929
395 3AY 0.8928
396 T2C 0.8926
397 GYE 0.8926
398 RAM 0.8925
399 GLA 0.8925
400 HV2 0.8923
401 NSP 0.8923
402 O7U 0.8922
403 F81 0.8921
404 AX7 0.8920
405 1DW 0.8920
406 273 0.8919
407 AC5 0.8919
408 WDL 0.8918
409 P92 0.8917
410 IFL 0.8912
411 GLC 0.8912
412 RNS 0.8911
413 OHG 0.8911
414 2CQ 0.8911
415 2ZX 0.8910
416 5H1 0.8909
417 NPY 0.8909
418 HSE 0.8909
419 CNL 0.8909
420 5MB 0.8908
421 NOJ 0.8908
422 03W 0.8908
423 3SK 0.8905
424 14O 0.8903
425 13X 0.8903
426 5MI 0.8900
427 PM6 0.8898
428 DIG 0.8897
429 GAG 0.8895
430 24B 0.8894
431 SVN 0.8894
432 GBL 0.8894
433 VNJ 0.8893
434 Q88 0.8890
435 0RW 0.8890
436 HYP 0.8889
437 2AS 0.8888
438 ZZT 0.8888
439 MZW 0.8888
440 ROR 0.8887
441 F60 0.8886
442 5AC 0.8885
443 RB5 0.8882
444 BMA 0.8881
445 FCN 0.8881
446 6KX 0.8881
447 F4Z 0.8881
448 DCY 0.8879
449 ES9 0.8879
450 1DH 0.8879
451 E60 0.8879
452 8H8 0.8875
453 GAF 0.8873
454 BP1 0.8873
455 X6X 0.8873
456 JKE 0.8872
457 DE2 0.8872
458 NMJ 0.8871
459 YCP 0.8870
460 JBE 0.8869
461 BVG 0.8868
462 7MH 0.8862
463 5AN 0.8862
464 ERH 0.8861
465 4ZC 0.8860
466 NEQ 0.8860
467 OXL 0.8856
468 2MI 0.8856
469 ASO 0.8855
470 51F 0.8854
471 BAM 0.8854
472 45C 0.8853
473 HMU 0.8852
474 XM0 0.8850
475 ITN 0.8849
476 IOL 0.8847
477 HX3 0.8846
478 BR8 0.8846
479 JIF 0.8846
480 H4N 0.8845
481 4SV 0.8843
482 11S 0.8842
483 BGC 0.8842
484 LFR 0.8841
485 BSX 0.8841
486 4CS 0.8839
487 3M0 0.8838
488 3F0 0.8838
489 MRZ 0.8837
490 3DO 0.8837
491 2K4 0.8835
492 FAC 0.8835
493 3MT 0.8834
494 AFR 0.8834
495 98J 0.8830
496 TH7 0.8828
497 TZC 0.8827
498 HDA 0.8826
499 PRI 0.8826
500 YIO 0.8824
501 LCN 0.8823
502 MFB 0.8820
503 PZA 0.8817
504 3RK 0.8815
505 3HR 0.8813
506 OXM 0.8812
507 IQ0 0.8812
508 FK1 0.8811
509 1DU 0.8809
510 G6D 0.8808
511 ABV 0.8807
512 1AC 0.8805
513 4PW 0.8803
514 GG6 0.8802
515 3HA 0.8802
516 PYR 0.8801
517 P2D 0.8798
518 FOA 0.8797
519 4VP 0.8796
520 1LQ 0.8795
521 CAH 0.8795
522 MSN 0.8793
523 N7P 0.8793
524 2FG 0.8793
525 2H5 0.8788
526 NK2 0.8788
527 3DM 0.8787
528 6M9 0.8786
529 GCS 0.8785
530 DAL 0.8785
531 1GN 0.8784
532 OXD 0.8784
533 ADZ 0.8783
534 PYC 0.8783
535 AAE 0.8782
536 TC7 0.8782
537 PBC 0.8781
538 717 0.8780
539 TP5 0.8779
540 VGL 0.8779
541 EXO 0.8778
542 HH5 0.8778
543 1DQ 0.8777
544 OVV 0.8777
545 NTN 0.8776
546 ALQ 0.8776
547 AUD 0.8776
548 JZ4 0.8775
549 NOY 0.8773
550 LAC 0.8773
551 DBH 0.8773
552 HGY 0.8773
553 SOE 0.8771
554 BVC 0.8770
555 4JL 0.8770
556 FP1 0.8769
557 60P 0.8767
558 54G 0.8765
559 SS2 0.8764
560 TAY 0.8764
561 EUG 0.8760
562 TBP 0.8759
563 8NY 0.8759
564 260 0.8758
565 82I 0.8757
566 GRE 0.8756
567 BP9 0.8755
568 JFD 0.8754
569 SF9 0.8752
570 GUN 0.8752
571 SS1 0.8749
572 QSC 0.8744
573 6F0 0.8743
574 ZZ3 0.8742
575 XAN 0.8742
576 HVQ 0.8741
577 GLU 0.8740
578 149 0.8740
579 AC0 0.8739
580 BHO 0.8739
581 IOM 0.8737
582 2OP 0.8732
583 7HQ 0.8732
584 M58 0.8729
585 S76 0.8729
586 1CB 0.8728
587 ISN 0.8728
588 I3A 0.8727
589 IP0 0.8726
590 6SP 0.8726
591 KYD 0.8722
592 CAE 0.8722
593 4RW 0.8721
594 9DG 0.8720
595 FMS 0.8718
596 SJ5 0.8718
597 HLT 0.8718
598 C2N 0.8717
599 FAN 0.8716
600 3NT 0.8716
601 ATQ 0.8716
602 1WD 0.8716
603 GXL 0.8715
604 5RG 0.8712
605 ODV 0.8711
606 SNE 0.8710
607 7W4 0.8710
608 AMT 0.8710
609 261 0.8709
610 UY7 0.8709
611 RBL 0.8707
612 ASC 0.8707
613 DTU 0.8706
614 3V4 0.8705
615 7B4 0.8704
616 XQ0 0.8702
617 FBA 0.8701
618 HCS 0.8701
619 UNU 0.8699
620 KKN 0.8698
621 5Q0 0.8698
622 2A7 0.8698
623 ES0 0.8695
624 TCZ 0.8694
625 2LP 0.8694
626 HQY 0.8693
627 K6H 0.8692
628 GTQ 0.8691
629 1NP 0.8691
630 OEM 0.8690
631 5SG 0.8688
632 MAE 0.8687
633 8GC 0.8687
634 5IQ 0.8686
635 ALA 0.8686
636 N5J 0.8684
637 6CS 0.8684
638 JPZ 0.8684
639 4YS 0.8683
640 RSO 0.8679
641 CWM 0.8678
642 SF6 0.8678
643 1SQ 0.8678
644 JZ5 0.8678
645 ICN 0.8675
646 HHA 0.8675
647 5HN 0.8675
648 C21 0.8674
649 3TR 0.8673
650 GAB 0.8672
651 FDK 0.8671
652 FRU 0.8670
653 3DY 0.8670
654 SGL 0.8667
655 INS 0.8667
656 GIO 0.8667
657 ALL 0.8667
658 5M0 0.8665
659 DCL 0.8665
660 C2B 0.8663
661 GIV 0.8661
662 ES1 0.8660
663 3BZ 0.8658
664 M1A 0.8655
665 DTT 0.8653
666 4SD 0.8652
667 SWA 0.8652
668 PRY 0.8646
669 NVA 0.8646
670 SIN 0.8646
671 1P3 0.8645
672 HOW 0.8644
673 MMA 0.8644
674 1XN 0.8643
675 3AB 0.8640
676 3HB 0.8639
677 UEG 0.8639
678 TB6 0.8636
679 53C 0.8635
680 HBR 0.8634
681 A2F 0.8634
682 2EZ 0.8632
683 3ID 0.8631
684 2AI 0.8628
685 AZA 0.8627
686 1MZ 0.8623
687 FH2 0.8622
688 4MZ 0.8618
689 NAK 0.8618
690 290 0.8614
691 F0J 0.8612
692 NXA 0.8609
693 8S0 0.8608
694 MFU 0.8608
695 NPO 0.8608
696 6M1 0.8607
697 9TZ 0.8601
698 PZI 0.8601
699 S0H 0.8598
700 DMD 0.8597
701 5WV 0.8597
702 MBG 0.8592
703 BNS 0.8590
704 H8N 0.8577
705 PHB 0.8570
706 3HL 0.8567
707 4NC 0.8562
708 BUO 0.8559
709 5MK 0.8549
710 GLL 0.8532
711 PPF 0.8532
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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