Receptor
PDB id Resolution Class Description Source Keywords
2gru 2.15 Å EC: 4.2.3.- CRYSTAL STRUCTURE OF 2-DEOXY-SCYLLO-INOSOSE SYNTHASE COMPLEXED WITH CARBAGLUCOSE-6-PHOSPHATE, NAD+ AND CO2+ BACILLUS CIRCULANS AMINOGLYCOSIDE 2-DEOXYSTREPTAMINE DEHYDROQUINATE SYNTHASELYASE
Ref.: STRUCTURE OF 2-DEOXY-SCYLLO-INOSOSE SYNTHASE, A KEY ENZYME IN THE BIOSYNTHESIS OF 2-DEOXYSTREPTAMINE-CONTAINING AMINOGLYCOSIDE ANTIBIOTICS, IN COMPLEX WITH A MECHANISM-BASED INHIBITOR AND NAD+ PROTEINS V. 70 517 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAK B:609;
 Invalid;
 none;
 submit data
258.163 C7 H15 O8 P C1[C@...
CO A:601;
B:602;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
58.933 Co [Co+2...
EXO A:607;
 Valid;
 none;
 submit data
160.168 C7 H12 O4 C=C1C...
MPD A:611;
B:610;
 Invalid;
Invalid;
 none;
none;
 submit data
118.174 C6 H14 O2 C[C@@...
NAD A:603;
B:604;
 Valid;
Valid;
 none;
none;
 submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
PO4 A:608;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
SO3 A:605;
B:606;
 Invalid;
Invalid;
 none;
none;
 submit data
80.063 O3 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GRU 2.15 Å EC: 4.2.3.- CRYSTAL STRUCTURE OF 2-DEOXY-SCYLLO-INOSOSE SYNTHASE COMPLEXED WITH CARBAGLUCOSE-6-PHOSPHATE, NAD+ AND CO2+ BACILLUS CIRCULANS AMINOGLYCOSIDE 2-DEOXYSTREPTAMINE DEHYDROQUINATE SYNTHASELYASE
Ref.: STRUCTURE OF 2-DEOXY-SCYLLO-INOSOSE SYNTHASE, A KEY ENZYME IN THE BIOSYNTHESIS OF 2-DEOXYSTREPTAMINE-CONTAINING AMINOGLYCOSIDE ANTIBIOTICS, IN COMPLEX WITH A MECHANISM-BASED INHIBITOR AND NAD+ PROTEINS V. 70 517 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GRU - EXO C7 H12 O4 C=C1C[C@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GRU - EXO C7 H12 O4 C=C1C[C@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GRU - EXO C7 H12 O4 C=C1C[C@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EXO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EXO 1 1
Ligand no: 2; Ligand: NAD; Similar ligands found: 251
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD IBO 0.885714 0.985915
2 NAD TDB 0.885714 0.985915
3 A3D 0.872727 0.986111
4 NHD 0.821429 0.972222
5 NAP 0.811966 0.986111
6 NFD 0.791304 0.946667
7 DND 0.765766 0.972603
8 AMP NAD 0.74359 0.972222
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 NDE 0.689922 0.972603
15 NAJ 0.683333 0.972222
16 NDC 0.679389 0.934211
17 NDO 0.674603 0.958904
18 N01 0.656 0.972222
19 CNA 0.642276 0.972603
20 NBP 0.621212 0.922078
21 NAD BBN 0.609929 0.876543
22 8ID 0.609756 0.922078
23 NAD CJ3 0.601399 0.845238
24 ADP MG 0.584906 0.957747
25 ADP BEF 0.584906 0.957747
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BA3 0.566038 0.958333
30 NAD NDT 0.565789 0.755319
31 M33 0.564815 0.918919
32 ADP PO3 0.563636 0.957747
33 ATP MG 0.563636 0.957747
34 AP5 0.560748 0.958333
35 B4P 0.560748 0.958333
36 BEF ADP 0.558559 0.931507
37 VO4 ADP 0.557522 0.932432
38 AT4 0.555556 0.894737
39 AN2 0.555556 0.918919
40 GAP 0.553571 0.932432
41 OOB 0.551724 0.972222
42 CA0 0.550459 0.932432
43 9JJ 0.546053 0.898734
44 ATP 0.545455 0.931507
45 HEJ 0.545455 0.931507
46 ACP 0.545455 0.906667
47 KG4 0.545455 0.932432
48 DQV 0.544 0.972222
49 ALF ADP 0.54386 0.883117
50 ANP MG 0.54386 0.945205
51 DAL AMP 0.543103 0.945205
52 8LQ 0.543103 0.92
53 AQP 0.540541 0.931507
54 APR 0.540541 0.931507
55 AR6 0.540541 0.931507
56 5FA 0.540541 0.931507
57 AGS 0.535714 0.883117
58 AD9 0.535714 0.906667
59 WAQ 0.533333 0.896104
60 ABM 0.53271 0.905405
61 45A 0.53271 0.905405
62 QA7 0.529915 0.907895
63 DLL 0.529412 0.972222
64 00A 0.529412 0.921053
65 AMP MG 0.528302 0.943662
66 ANP 0.526316 0.906667
67 NJP 0.526316 0.959459
68 ACQ 0.526316 0.906667
69 OAD 0.525 0.932432
70 ADX 0.522523 0.839506
71 8LE 0.521739 0.907895
72 5AL 0.521739 0.945205
73 A1R 0.521008 0.871795
74 9SN 0.520325 0.909091
75 A 0.518868 0.930556
76 AMP 0.518868 0.930556
77 50T 0.517857 0.893333
78 ATF 0.517241 0.894737
79 3OD 0.516393 0.932432
80 1ZZ 0.516393 0.851852
81 SON 0.513514 0.92
82 PRX 0.513274 0.881579
83 SRP 0.512821 0.92
84 8LH 0.512821 0.92
85 6YZ 0.512821 0.906667
86 3UK 0.512397 0.958904
87 9X8 0.512397 0.883117
88 ADP BMA 0.512397 0.932432
89 MYR AMP 0.512195 0.851852
90 NAJ PZO 0.510949 0.909091
91 NMN 0.509434 0.875
92 HQG 0.508475 0.918919
93 A3R 0.508333 0.871795
94 B5V 0.508197 0.945946
95 AMP DBH 0.507937 0.906667
96 A22 0.504202 0.945205
97 JNT 0.504132 0.906667
98 FA5 0.504 0.945946
99 ATP A 0.504 0.971831
100 ATP A A A 0.504 0.971831
101 B5M 0.504 0.933333
102 8QN 0.5 0.945205
103 NAX 0.496183 0.886076
104 PR8 0.495935 0.8625
105 ADQ 0.495868 0.932432
106 AMO 0.495868 0.92
107 4AD 0.495868 0.933333
108 PAJ 0.495868 0.873418
109 V2G 0.495726 0.884615
110 APC MG 0.495652 0.931507
111 A12 0.495495 0.894737
112 AP2 0.495495 0.894737
113 ALF ADP 3PG 0.492424 0.873418
114 AHZ 0.492308 0.851852
115 FYA 0.491935 0.918919
116 AHX 0.491803 0.884615
117 4UU 0.488372 0.933333
118 5SV 0.487603 0.8375
119 T99 0.487179 0.894737
120 TAT 0.487179 0.894737
121 APC 0.486957 0.894737
122 SRA 0.486239 0.881579
123 6V0 0.484848 0.909091
124 NAI 0.484848 0.921053
125 GTA 0.484615 0.898734
126 LAD 0.483871 0.873418
127 AU1 0.482456 0.906667
128 F2R 0.481752 0.831325
129 TXE 0.481203 0.921053
130 OMR 0.481203 0.841463
131 AF3 ADP 3PG 0.481203 0.873418
132 LAQ 0.480916 0.851852
133 G3A 0.48062 0.909091
134 B5Y 0.480315 0.933333
135 NB8 0.48 0.884615
136 TXA 0.48 0.92
137 BIS 0.48 0.871795
138 PTJ 0.48 0.884615
139 ME8 0.48 0.851852
140 139 0.477941 0.886076
141 LPA AMP 0.477273 0.851852
142 G5P 0.476923 0.909091
143 AFH 0.476923 0.873418
144 AR6 AR6 0.476923 0.958333
145 ARG AMP 0.476923 0.841463
146 25L 0.47619 0.945205
147 NAJ PYZ 0.475524 0.864198
148 9ZA 0.47541 0.896104
149 9ZD 0.47541 0.896104
150 OZV 0.47541 0.931507
151 25A 0.47541 0.958333
152 DZD 0.47482 0.897436
153 TXD 0.473684 0.921053
154 4UV 0.472868 0.933333
155 TYM 0.470149 0.945946
156 ADV 0.470085 0.894737
157 RBY 0.470085 0.894737
158 A7R 0.469231 0.857143
159 KMQ 0.46875 0.894737
160 4TA 0.467626 0.864198
161 48N 0.466165 0.884615
162 XAH 0.465116 0.851852
163 4UW 0.462687 0.897436
164 M24 0.461538 0.886076
165 80F 0.460993 0.853659
166 IOT 0.459854 0.821429
167 T5A 0.456522 0.853659
168 L3W 0.455882 0.92
169 EAD 0.455782 0.886076
170 MAP 0.455285 0.883117
171 GA7 0.454545 0.894737
172 BT5 0.453901 0.821429
173 A4P 0.452555 0.833333
174 UP5 0.451852 0.933333
175 PAP 0.445378 0.917808
176 AP0 0.445255 0.884615
177 4TC 0.445255 0.909091
178 YLP 0.444444 0.831325
179 P1H 0.443709 0.864198
180 AOC 0.442478 0.810811
181 Z5A 0.439189 0.833333
182 LMS 0.4375 0.817073
183 2A5 0.436975 0.857143
184 COD 0.43662 0.802326
185 ADJ 0.435714 0.841463
186 YLC 0.434783 0.851852
187 YLB 0.434783 0.831325
188 ATR 0.433333 0.90411
189 7MD 0.432836 0.851852
190 8X1 0.432 0.764045
191 G5A 0.429752 0.790698
192 PO4 PO4 A A A A PO4 0.429688 0.943662
193 TAD 0.42963 0.873418
194 D4F 0.428571 0.875
195 5AS 0.42735 0.770115
196 BTX 0.426573 0.831325
197 YLA 0.425532 0.831325
198 DSZ 0.425197 0.790698
199 NCN 0.424779 0.805556
200 UPA 0.42446 0.921053
201 8PZ 0.424242 0.811765
202 VMS 0.424 0.8
203 54H 0.424 0.8
204 9K8 0.423077 0.744444
205 N0B 0.422819 0.853659
206 6AD 0.422764 0.85
207 AYB 0.422535 0.821429
208 7D3 0.422414 0.844156
209 YLY 0.421769 0.821429
210 TSB 0.420635 0.809524
211 ODP 0.41958 0.922078
212 A5A 0.419355 0.819277
213 FB0 0.419355 0.775281
214 AV2 0.419355 0.855263
215 NNR 0.419048 0.739726
216 LEU LMS 0.418605 0.761364
217 649 0.417266 0.775281
218 H1Q 0.416667 0.917808
219 NMN AMP PO4 0.416667 0.933333
220 SSA 0.416 0.790698
221 P5A 0.415385 0.755556
222 LSS 0.414062 0.772727
223 52H 0.412698 0.790698
224 A2R 0.412698 0.918919
225 JB6 0.412214 0.896104
226 5N5 0.411215 0.783784
227 YSA 0.410448 0.811765
228 B1U 0.410448 0.786517
229 53H 0.409449 0.790698
230 5CA 0.409449 0.790698
231 ITT 0.408333 0.878378
232 7D4 0.408333 0.844156
233 NA7 0.407692 0.894737
234 5CD 0.407407 0.794521
235 0WD 0.406897 0.909091
236 A3P 0.40678 0.930556
237 HFD 0.406504 0.883117
238 JSQ 0.406504 0.883117
239 AVV 0.40625 0.860759
240 RAB 0.40566 0.808219
241 XYA 0.40566 0.808219
242 ADN 0.40566 0.808219
243 FDA 0.405063 0.823529
244 CUU 0.404959 0.905405
245 V47 0.404762 0.821918
246 GSU 0.40458 0.790698
247 7MC 0.404255 0.831325
248 NSS 0.403101 0.811765
249 6FA 0.402516 0.853659
250 PPS 0.4 0.817073
251 NVA LMS 0.4 0.784091
Similar Ligands (3D)
Ligand no: 1; Ligand: EXO; Similar ligands found: 867
No: Ligand Similarity coefficient
1 G6D 0.9924
2 F5B 0.9892
3 25W 0.9874
4 XYP 0.9813
5 5CL 0.9811
6 8S0 0.9782
7 BGC 0.9711
8 G3F 0.9706
9 RAM 0.9702
10 GLC 0.9701
11 INS 0.9698
12 FUL 0.9698
13 HFB 0.9691
14 DQN 0.9682
15 BCF 0.9667
16 GCS 0.9667
17 FUC 0.9658
18 XXR 0.9657
19 PCI 0.9644
20 ISE 0.9644
21 BBF 0.9643
22 1WG 0.9625
23 I1N 0.9623
24 RM4 0.9621
25 IBF 0.9617
26 LXC 0.9614
27 SHG 0.9613
28 F3B 0.9606
29 JIF 0.9593
30 GAL 0.9582
31 FCB 0.9564
32 KJY 0.9561
33 39A 0.9558
34 LGC 0.9558
35 7MH 0.9555
36 T6C 0.9549
37 150 0.9542
38 RNS 0.9537
39 JFD 0.9535
40 2CQ 0.9529
41 3WA 0.9517
42 BTE 0.9513
43 XYS 0.9509
44 ARA 0.9500
45 45C 0.9495
46 3RK 0.9479
47 B53 0.9476
48 2H5 0.9475
49 ADZ 0.9474
50 ADK 0.9472
51 2FG 0.9469
52 35C 0.9465
53 SAL 0.9465
54 7HP 0.9463
55 JUG 0.9463
56 G1O 0.9463
57 ADE 0.9460
58 WOO 0.9459
59 MFU 0.9457
60 TC7 0.9455
61 G5V 0.9455
62 HPA 0.9453
63 SEJ 0.9447
64 LKA 0.9443
65 PFB 0.9439
66 6F0 0.9437
67 7CZ 0.9436
68 F4Z 0.9435
69 FCA 0.9427
70 EQT 0.9424
71 JBQ 0.9420
72 BE2 0.9416
73 0TR 0.9412
74 1LQ 0.9404
75 ARB 0.9404
76 12B 0.9403
77 RIP 0.9398
78 7B4 0.9394
79 YH7 0.9392
80 GUN 0.9384
81 JPZ 0.9381
82 2ZV 0.9375
83 ES1 0.9374
84 JBH 0.9373
85 5Q0 0.9371
86 GRE 0.9370
87 PXL 0.9368
88 1WD 0.9368
89 1SQ 0.9360
90 IGA 0.9359
91 AZA 0.9358
92 JKE 0.9356
93 HQY 0.9356
94 5M0 0.9356
95 TBP 0.9355
96 3MA 0.9355
97 MFB 0.9353
98 3DO 0.9351
99 GTQ 0.9350
100 GIO 0.9350
101 KBG 0.9350
102 7WV 0.9349
103 UEG 0.9348
104 N5J 0.9347
105 5RG 0.9344
106 290 0.9341
107 32X 0.9339
108 3MG 0.9337
109 4YS 0.9337
110 141 0.9337
111 DHQ 0.9337
112 1XM 0.9337
113 6GU 0.9336
114 0CU 0.9335
115 82I 0.9334
116 0MK 0.9333
117 XAN 0.9333
118 3U4 0.9333
119 54G 0.9333
120 9DG 0.9332
121 5SG 0.9331
122 JBE 0.9329
123 HZQ 0.9327
124 M1E 0.9325
125 A2F 0.9324
126 FUF 0.9324
127 6AP 0.9323
128 BDP 0.9323
129 9DA 0.9322
130 NOJ 0.9322
131 6M1 0.9321
132 948 0.9320
133 F05 0.9320
134 3HA 0.9320
135 24W 0.9319
136 5IQ 0.9318
137 PYG 0.9317
138 3M0 0.9317
139 DX4 0.9316
140 9HX 0.9316
141 ES6 0.9316
142 PXM 0.9314
143 AZG 0.9313
144 BDF 0.9312
145 MT0 0.9312
146 BOA 0.9312
147 PBR 0.9311
148 6MP 0.9310
149 9EW 0.9309
150 1NP 0.9306
151 BP1 0.9304
152 F81 0.9302
153 TDR 0.9301
154 ALL 0.9300
155 BMA 0.9300
156 5MK 0.9299
157 9MG 0.9299
158 495 0.9298
159 67N 0.9297
160 3F0 0.9297
161 M0Q 0.9296
162 PM6 0.9296
163 O72 0.9295
164 HH8 0.9294
165 URF 0.9292
166 DBJ 0.9291
167 4SV 0.9290
168 ARW 0.9287
169 7VS 0.9285
170 DBH 0.9282
171 YSO 0.9281
172 ASO 0.9280
173 7HQ 0.9279
174 1LM 0.9278
175 GXL 0.9277
176 HLZ 0.9277
177 Q88 0.9277
178 5WX 0.9275
179 FE DB1 0.9273
180 WBU 0.9273
181 149 0.9272
182 PYD 0.9271
183 ISN 0.9270
184 HLR 0.9265
185 7VJ 0.9264
186 MAN 0.9263
187 23A 0.9262
188 IFL 0.9259
189 SX1 0.9259
190 HH5 0.9256
191 2D0 0.9255
192 6M9 0.9253
193 15L 0.9251
194 SWD 0.9251
195 GOO 0.9251
196 BR8 0.9250
197 LCN 0.9250
198 FUB 0.9250
199 1GN 0.9249
200 8CM 0.9246
201 7W4 0.9245
202 ES4 0.9245
203 CFP 0.9244
204 JBK 0.9243
205 M1H 0.9243
206 MBG 0.9243
207 TEP 0.9243
208 5MH 0.9242
209 1MC 0.9240
210 FYU 0.9240
211 GYE 0.9239
212 CTS 0.9238
213 4XH 0.9237
214 HHA 0.9237
215 6KX 0.9235
216 KYD 0.9235
217 5WV 0.9233
218 ICP 0.9232
219 MCT 0.9232
220 0P6 0.9231
221 M0W 0.9231
222 1U6 0.9231
223 4PW 0.9230
224 I3A 0.9230
225 GOX 0.9230
226 ES0 0.9230
227 KKN 0.9226
228 7WA 0.9225
229 GBD 0.9221
230 5UC 0.9220
231 0RW 0.9218
232 TH0 0.9218
233 CWM 0.9217
234 SVN 0.9215
235 ABE 0.9215
236 PYQ 0.9214
237 GLA 0.9213
238 TM7 0.9212
239 FOT 0.9212
240 QUZ 0.9211
241 XYD 0.9210
242 275 0.9210
243 NPY 0.9210
244 3IT 0.9209
245 64K 0.9209
246 PA1 0.9208
247 GLT 0.9207
248 ES7 0.9207
249 4ZE 0.9206
250 6M4 0.9206
251 UQ 0.9205
252 MWM 0.9205
253 CFF 0.9205
254 GCB 0.9204
255 4HO 0.9204
256 9TZ 0.9203
257 CGB 0.9203
258 IV2 0.9202
259 CWS 0.9200
260 4CL 0.9200
261 GMN 0.9200
262 XLS 0.9199
263 4JJ 0.9198
264 G2F 0.9197
265 4JO 0.9196
266 JZ2 0.9195
267 AHR 0.9195
268 JZ3 0.9193
269 3DM 0.9192
270 MNM 0.9192
271 3MC 0.9191
272 13X 0.9191
273 PE0 0.9189
274 8H8 0.9189
275 DPZ 0.9186
276 3AY 0.9186
277 B60 0.9185
278 YTB 0.9185
279 M1A 0.9183
280 APZ 0.9183
281 A7W 0.9183
282 DFU 0.9182
283 GOG 0.9182
284 SOR 0.9182
285 HQD 0.9181
286 6HQ 0.9180
287 1XN 0.9180
288 2YU 0.9180
289 TLD 0.9179
290 FLM 0.9178
291 SFU 0.9177
292 XBZ 0.9177
293 UNC 0.9177
294 2MP 0.9177
295 AX2 0.9177
296 5JC 0.9176
297 4HM 0.9176
298 EVA 0.9176
299 MZG 0.9175
300 AZ9 0.9175
301 5WY 0.9175
302 6UA 0.9174
303 NK 0.9174
304 BZX 0.9174
305 SOE 0.9174
306 5DI 0.9172
307 329 0.9171
308 B57 0.9170
309 MBD 0.9170
310 10L 0.9170
311 34A 0.9169
312 24B 0.9169
313 BDR 0.9169
314 43M 0.9167
315 YIO 0.9167
316 IJZ 0.9166
317 KUF 0.9166
318 HJP 0.9165
319 60P 0.9164
320 FDB 0.9162
321 0R0 0.9161
322 ERH 0.9161
323 94B 0.9160
324 HMH 0.9159
325 7W1 0.9156
326 LZM 0.9155
327 5AN 0.9155
328 4HC 0.9153
329 TAR 0.9152
330 2C9 0.9150
331 3FA 0.9150
332 DUB 0.9150
333 M5K 0.9149
334 5QX 0.9149
335 HQT 0.9148
336 2MY 0.9148
337 HT4 0.9147
338 NOY 0.9146
339 A1U 0.9146
340 XQG 0.9145
341 27Y 0.9143
342 FFP 0.9143
343 FSW 0.9141
344 Q6T 0.9140
345 2AC 0.9138
346 GLF 0.9138
347 IFM 0.9137
348 2CK 0.9137
349 MAQ 0.9137
350 2ZQ 0.9136
351 C2U 0.9136
352 ASC 0.9136
353 3Z7 0.9134
354 12M 0.9132
355 42C 0.9132
356 CAQ 0.9131
357 AZ8 0.9130
358 5ZE 0.9125
359 42A 0.9124
360 OXQ 0.9123
361 IUR 0.9122
362 AKH 0.9122
363 DRL 0.9120
364 LSA 0.9119
365 5B1 0.9118
366 WDL 0.9118
367 AJV 0.9118
368 BR9 0.9116
369 AJ2 0.9116
370 KLW 0.9116
371 2CM 0.9115
372 IDH 0.9115
373 X05 0.9114
374 Q24 0.9114
375 PHT 0.9113
376 X6X 0.9112
377 7ZE 0.9111
378 MWJ 0.9111
379 BHO 0.9110
380 3CE 0.9110
381 HXX 0.9110
382 JAE 0.9108
383 ZWZ 0.9108
384 NTM 0.9106
385 M1Q 0.9104
386 MEW 0.9103
387 QOS 0.9101
388 3MH 0.9100
389 DMD 0.9099
390 AQO 0.9098
391 6CS 0.9097
392 J9W 0.9096
393 NSP 0.9096
394 0W8 0.9095
395 Y8I 0.9094
396 PAF 0.9094
397 F0J 0.9093
398 X09 0.9093
399 6MH 0.9092
400 4ZC 0.9090
401 86J 0.9090
402 NDM 0.9089
403 IDM 0.9088
404 KPL 0.9088
405 FPY 0.9087
406 LRH 0.9085
407 EA1 0.9085
408 3ID 0.9084
409 2ZX 0.9084
410 DFB 0.9084
411 1DW 0.9084
412 GAG 0.9083
413 R8V 0.9083
414 03V 0.9082
415 BCP 0.9078
416 ZVO 0.9078
417 EUG 0.9077
418 VK3 0.9077
419 DMJ 0.9077
420 1XX 0.9075
421 7D2 0.9074
422 MSN 0.9074
423 QX2 0.9073
424 4M4 0.9073
425 SKA 0.9073
426 MMA 0.9072
427 TH7 0.9072
428 NMJ 0.9071
429 1P7 0.9069
430 MO8 0.9069
431 GCU 0.9067
432 7NI 0.9066
433 6AI 0.9065
434 KJH 0.9064
435 TCZ 0.9061
436 5AC 0.9060
437 ZZT 0.9060
438 HMU 0.9060
439 3SK 0.9060
440 R8A 0.9059
441 NID 0.9059
442 QWN 0.9056
443 4AA 0.9056
444 NQ 0.9056
445 2CH 0.9055
446 FHN 0.9053
447 COU 0.9052
448 GDE 0.9052
449 TM4 0.9050
450 M6N 0.9050
451 FBT 0.9048
452 BEW 0.9046
453 1PT 0.9045
454 AMG 0.9042
455 GXY 0.9041
456 0CT 0.9040
457 RPQ 0.9040
458 GAF 0.9039
459 2HQ 0.9039
460 FDK 0.9038
461 GTR 0.9037
462 XQ0 0.9037
463 DIN 0.9035
464 AFR 0.9035
465 2AF 0.9034
466 DIU 0.9034
467 3Z8 0.9034
468 RXA 0.9031
469 AUD 0.9030
470 SWA 0.9030
471 12Q 0.9029
472 NEQ 0.9028
473 0N7 0.9026
474 GT0 0.9026
475 G4D 0.9024
476 4FS 0.9024
477 FH2 0.9022
478 GIV 0.9022
479 IND 0.9020
480 DEN 0.9016
481 VNJ 0.9015
482 E7Z 0.9015
483 D07 0.9014
484 JZ0 0.9014
485 L3Q 0.9014
486 260 0.9012
487 H42 0.9010
488 HX3 0.9009
489 MWP 0.9007
490 06B 0.9006
491 K17 0.9006
492 D3M 0.9001
493 RIB 0.8998
494 ES5 0.8997
495 HTS 0.8996
496 V55 0.8996
497 BEN 0.8994
498 TBS 0.8992
499 93Q 0.8992
500 G3E 0.8992
501 OXE 0.8992
502 GVH 0.8989
503 3XX 0.8989
504 S76 0.8988
505 NTZ 0.8988
506 14O 0.8987
507 BZI 0.8987
508 EYK 0.8984
509 BZF 0.8983
510 MA3 0.8983
511 94N 0.8980
512 5CU 0.8980
513 MUA 0.8979
514 1AN 0.8979
515 92K 0.8979
516 37T 0.8978
517 CTL 0.8978
518 92Z 0.8976
519 3HB 0.8976
520 5MB 0.8975
521 3NT 0.8975
522 8LG 0.8974
523 GCW 0.8970
524 AZF 0.8970
525 HNQ 0.8970
526 4Z4 0.8969
527 40O 0.8969
528 RBL 0.8969
529 IP0 0.8968
530 UAN 0.8966
531 INE 0.8966
532 4JP 0.8964
533 PHH 0.8962
534 FP2 0.8962
535 MRW 0.8961
536 76X 0.8960
537 MPI 0.8958
538 286 0.8958
539 0R1 0.8958
540 F60 0.8957
541 5RN 0.8957
542 DHK 0.8955
543 DOB 0.8955
544 L89 0.8955
545 EJZ 0.8954
546 GTL 0.8954
547 GAB 0.8953
548 TFU 0.8953
549 FPK 0.8952
550 2AK 0.8952
551 IPZ 0.8952
552 JZ1 0.8951
553 5H1 0.8951
554 6X8 0.8951
555 2EC 0.8950
556 KIB 0.8950
557 680 0.8947
558 QPR 0.8946
559 BEZ 0.8946
560 BNT 0.8945
561 FA0 0.8945
562 3ZQ 0.8944
563 2XX 0.8943
564 GYP 0.8942
565 OXZ 0.8941
566 SE2 0.8940
567 XYL 0.8940
568 TTL 0.8940
569 ES9 0.8939
570 3AB 0.8937
571 MVL 0.8935
572 SHA 0.8934
573 JZ9 0.8934
574 5MI 0.8933
575 URA 0.8932
576 FBV 0.8931
577 URC 0.8931
578 6LW 0.8931
579 5HN 0.8930
580 QBK 0.8925
581 LZ1 0.8923
582 2K4 0.8923
583 TOF 0.8923
584 NCA 0.8923
585 2A7 0.8922
586 OVV 0.8922
587 3FH 0.8921
588 2AQ 0.8921
589 GIM 0.8920
590 AEZ 0.8920
591 NK2 0.8919
592 3R6 0.8919
593 JB5 0.8919
594 ICO 0.8917
595 RSF 0.8917
596 DIE 0.8916
597 NIO 0.8914
598 2MN 0.8914
599 TMZ 0.8914
600 NDH 0.8912
601 HIO 0.8912
602 FB1 0.8911
603 OCH 0.8910
604 P3K 0.8909
605 CRS 0.8908
606 TLA 0.8908
607 4XV 0.8907
608 HBA 0.8905
609 JXN 0.8904
610 SJ5 0.8902
611 938 0.8902
612 7B3 0.8898
613 11S 0.8896
614 5NU 0.8896
615 BAM 0.8895
616 BHA 0.8891
617 B55 0.8888
618 TTY 0.8888
619 3BZ 0.8887
620 DGJ 0.8886
621 SF9 0.8885
622 8TX 0.8884
623 SRO 0.8884
624 XM0 0.8884
625 PRF 0.8883
626 H4N 0.8882
627 VNL 0.8881
628 4M0 0.8879
629 53C 0.8879
630 75K 0.8878
631 DEE 0.8878
632 XHP 0.8875
633 PQ0 0.8875
634 KOJ 0.8874
635 NBZ 0.8872
636 QAT 0.8871
637 AH8 0.8871
638 95Z 0.8871
639 MZB 0.8869
640 DBX 0.8869
641 FBB 0.8868
642 FGZ 0.8867
643 MT5 0.8864
644 5JQ 0.8864
645 HY3 0.8863
646 GTZ 0.8863
647 DOR 0.8863
648 B0D 0.8862
649 J5I 0.8860
650 HTP 0.8859
651 B62 0.8856
652 KIA 0.8856
653 FK1 0.8855
654 JND 0.8855
655 LMR 0.8854
656 26D 0.8853
657 N7P 0.8852
658 SXS 0.8851
659 2DR 0.8847
660 44W 0.8843
661 BTY 0.8842
662 CN0 0.8842
663 SKM 0.8842
664 4MU 0.8841
665 PBE 0.8841
666 LI6 0.8840
667 4ME 0.8837
668 BRT 0.8837
669 OXC 0.8837
670 Z6J 0.8835
671 9KT 0.8835
672 9TY 0.8833
673 8XQ 0.8833
674 IF7 0.8832
675 5OB 0.8832
676 5QY 0.8832
677 LT2 0.8832
678 MAK 0.8832
679 PSV 0.8829
680 ABV 0.8829
681 226 0.8828
682 FLV 0.8827
683 8GC 0.8827
684 QAS 0.8825
685 MIG 0.8825
686 2LP 0.8825
687 QSC 0.8824
688 8WT 0.8823
689 D48 0.8821
690 0FN 0.8821
691 4XR 0.8820
692 8IG 0.8820
693 ORO 0.8820
694 23J 0.8819
695 XAZ 0.8818
696 MLT 0.8818
697 LYL 0.8817
698 6PC 0.8815
699 RHU 0.8814
700 4NC 0.8814
701 QX4 0.8814
702 ZZ3 0.8814
703 TMT 0.8814
704 FP1 0.8813
705 BZ3 0.8813
706 ROR 0.8811
707 GZ8 0.8811
708 OTW 0.8810
709 18N 0.8810
710 HPY 0.8809
711 XX2 0.8808
712 3PF 0.8807
713 0FO 0.8806
714 8NY 0.8805
715 QWW 0.8802
716 NTN 0.8801
717 QSH 0.8801
718 N8Y 0.8801
719 DQU 0.8801
720 MYJ 0.8801
721 L7T 0.8800
722 4CH 0.8800
723 261 0.8799
724 INO 0.8798
725 3CH 0.8796
726 270 0.8796
727 4CS 0.8795
728 ALO 0.8795
729 P9P 0.8793
730 AX7 0.8790
731 RM1 0.8789
732 PZA 0.8788
733 NPO 0.8787
734 LFR 0.8787
735 1AB 0.8787
736 32O 0.8786
737 UNU 0.8784
738 K6X 0.8782
739 H76 0.8782
740 4JT 0.8779
741 YHO 0.8778
742 4YO 0.8777
743 EDG 0.8777
744 CYT 0.8775
745 RCO 0.8774
746 K5W 0.8774
747 MVN 0.8773
748 44V 0.8773
749 2A9 0.8770
750 R2B 0.8770
751 K2T 0.8769
752 SYV 0.8768
753 N8P 0.8768
754 6VD 0.8768
755 93K 0.8767
756 VAL 0.8767
757 I2M 0.8766
758 MR1 0.8762
759 2HO 0.8762
760 VGL 0.8759
761 1P3 0.8758
762 CLZ 0.8756
763 ADA 0.8755
764 BML 0.8752
765 KBB 0.8751
766 ECE 0.8751
767 ILE 0.8750
768 YCP 0.8750
769 HA7 0.8750
770 B3R 0.8749
771 DHB 0.8749
772 ICC 0.8745
773 4JQ 0.8745
774 KP6 0.8745
775 5NE 0.8744
776 VOH 0.8742
777 HGQ 0.8736
778 ZB1 0.8735
779 RP7 0.8734
780 SVD 0.8733
781 LG3 0.8733
782 GCO 0.8730
783 OAA 0.8729
784 2MI 0.8727
785 KJU 0.8727
786 4VP 0.8725
787 ENL 0.8725
788 OA3 0.8724
789 PCR 0.8724
790 LG5 0.8724
791 5RO 0.8721
792 IPB 0.8721
793 284 0.8721
794 4XS 0.8719
795 DIG 0.8718
796 QSB 0.8718
797 8GF 0.8716
798 GCV 0.8715
799 II6 0.8714
800 SS1 0.8713
801 D1X 0.8713
802 PHB 0.8706
803 9TW 0.8706
804 M2K 0.8705
805 CHB 0.8704
806 AIN 0.8704
807 8EZ 0.8703
808 5JL 0.8699
809 7WR 0.8699
810 GZL 0.8696
811 YQA 0.8690
812 JTH 0.8690
813 SRT 0.8689
814 ET2 0.8687
815 5VM 0.8683
816 9PY 0.8679
817 CFI 0.8678
818 MS9 0.8674
819 3OC 0.8669
820 AGK 0.8667
821 4XX 0.8666
822 4RW 0.8665
823 51R 0.8662
824 PRZ 0.8661
825 1P8 0.8660
826 H33 0.8657
827 4JU 0.8656
828 PBC 0.8654
829 6ME 0.8654
830 I6G 0.8653
831 ISZ 0.8651
832 BSX 0.8651
833 SMV 0.8650
834 KFH 0.8648
835 2GS 0.8641
836 PLQ 0.8640
837 1X7 0.8637
838 1LN 0.8630
839 RMN 0.8629
840 2MH 0.8626
841 ES2 0.8621
842 PX7 0.8621
843 KIV 0.8617
844 DAB 0.8609
845 NIZ 0.8608
846 0JD 0.8606
847 XUL 0.8600
848 PXY 0.8599
849 GIF 0.8599
850 NVU 0.8597
851 PRY 0.8594
852 4P0 0.8593
853 JZ4 0.8591
854 EKZ 0.8590
855 IHB 0.8589
856 3C2 0.8582
857 FPN 0.8580
858 HKD 0.8580
859 IT9 0.8579
860 PCA 0.8574
861 1KH 0.8561
862 BEA 0.8560
863 3C1 0.8555
864 EOL 0.8551
865 34D 0.8545
866 HQE 0.8539
867 SR1 0.8532
Ligand no: 2; Ligand: NAD; Similar ligands found: 4
No: Ligand Similarity coefficient
1 NAD 1.0000
2 NDP 0.9403
3 TXP 0.8813
4 NZQ 0.8708
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GRU; Ligand: EXO; 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: 2gru.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GRU; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gru.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GRU; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2gru.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback