Receptor
PDB id Resolution Class Description Source Keywords
1B2L 1.6 Å EC: 1.1.1.1 ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY WITH NAD-CYCLOHEXANONE SCAPTODROSOPHILA LEBANONENSIS OXIDOREDUCTASE DETOXIFICATION METABOLISM ALCOHOL DEHYDROGDROSOPHILA LEBANONENSIS SHORT-CHAIN DEHYDROGENASES/REDUCTATERNARY COMPLEX NAD- CYCLOHEXANONE ADDUCT
Ref.: THE CATALYTIC REACTION AND INHIBITION MECHANISM OF DROSOPHILA ALCOHOL DEHYDROGENASE: OBSERVATION OF AN ENZYME-BOUND NAD-KETONE ADDUCT AT 1.4 A RESOLUTION CRYSTALLOGRAPHY. J.MOL.BIOL. V. 289 335 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
CYH A:256;
 Valid;
 none;
 submit data
98.143 C6 H10 O C1CCC...
DTT A:257;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
NDC A:255;
 Valid;
 none;
 submit data
759.552 C27 H35 N7 O15 P2 c1c[n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RJ5 1.45 Å EC: 1.1.1.1 STRUCTURE OF ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONES MUTANT COMPLEXED WITH NAD+ SCAPTODROSOPHILA LEBANONENSIS SHORT-CHAIN DEHYDROGENASES/REDUCTASES OXIDOREDUCTASE DETOXIFICATION NAD METABOLISM
Ref.: AN INTACT EIGHT-MEMBERED WATER CHAIN IN DROSOPHILID DEHYDROGENASES IS ESSENTIAL FOR OPTIMAL ENZYME ACTI FEBS J. V. 279 2940 2012
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3RJ5 Kd = 24 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1SBY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3RJ9 Kd = 24 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1B16 - NAQ C26 H35 N7 O15 P2 CCC(=O)[C@....
5 1B2L - CYH C6 H10 O C1CCC(=O)C....
6 1B14 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1B15 - NAE C24 H31 N7 O15 P2 CC(=O)Cc1c....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1MG5 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3RJ5 Kd = 24 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1SBY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3RJ9 Kd = 24 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1B16 - NAQ C26 H35 N7 O15 P2 CCC(=O)[C@....
6 1B2L - CYH C6 H10 O C1CCC(=O)C....
7 1B14 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1B15 - NAE C24 H31 N7 O15 P2 CC(=O)Cc1c....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MG5 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3RJ5 Kd = 24 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1SBY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3RJ9 Kd = 24 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1B16 - NAQ C26 H35 N7 O15 P2 CCC(=O)[C@....
6 1B2L - CYH C6 H10 O C1CCC(=O)C....
7 1B14 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1B15 - NAE C24 H31 N7 O15 P2 CC(=O)Cc1c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CYH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CYH 1 1
Ligand no: 2; Ligand: NDC; Similar ligands found: 179
No: Ligand ECFP6 Tc MDL keys Tc
1 NDC 1 1
2 ZID 0.688889 0.947368
3 NAE 0.686567 0.923077
4 NAQ 0.681481 0.9
5 NAD 0.679389 0.934211
6 A3D 0.656716 0.922078
7 NDE 0.647887 0.935065
8 NAD TDB 0.609023 0.921053
9 NAD IBO 0.609023 0.921053
10 AMP NAD 0.582734 0.909091
11 DND 0.57037 0.910256
12 NAP 0.561644 0.922078
13 NHD 0.560284 0.909091
14 NFD 0.552448 0.8875
15 NA0 0.543624 0.910256
16 TAP 0.536913 0.864198
17 ADP MG 0.508197 0.894737
18 ADP BEF 0.508197 0.894737
19 A2D 0.5 0.896104
20 ADP 0.5 0.871795
21 N01 0.496644 0.909091
22 AN2 0.495935 0.860759
23 AT4 0.495935 0.839506
24 8LE 0.492188 0.851852
25 ATP MG 0.492063 0.894737
26 ADP PO3 0.492063 0.894737
27 BA3 0.491803 0.896104
28 DAL AMP 0.48855 0.884615
29 BEF ADP 0.488189 0.871795
30 B4P 0.487805 0.896104
31 AP5 0.487805 0.896104
32 GAP 0.484375 0.873418
33 CNA 0.482993 0.910256
34 M33 0.48 0.860759
35 CA0 0.48 0.873418
36 8LQ 0.477273 0.8625
37 VO4 ADP 0.476923 0.873418
38 ANP MG 0.476923 0.884615
39 ALF ADP 0.476923 0.829268
40 ACP 0.47619 0.85
41 KG4 0.47619 0.873418
42 ATP 0.47619 0.871795
43 HEJ 0.47619 0.871795
44 NAJ 0.472973 0.909091
45 ANP 0.472868 0.85
46 AQP 0.472441 0.871795
47 APR 0.472441 0.871795
48 AR6 0.472441 0.871795
49 5FA 0.472441 0.871795
50 NAX 0.472222 0.855422
51 PR8 0.470588 0.901235
52 AD9 0.46875 0.85
53 AGS 0.46875 0.829268
54 3OD 0.467153 0.873418
55 QA7 0.466165 0.851852
56 ATF 0.465649 0.839506
57 50T 0.464567 0.8375
58 NDO 0.464516 0.897436
59 3UK 0.463235 0.922078
60 OOB 0.462687 0.909091
61 ACQ 0.461538 0.85
62 DQV 0.461538 0.909091
63 NJP 0.46 0.898734
64 WAQ 0.459854 0.935897
65 B5V 0.459854 0.910256
66 A1R 0.459259 0.864198
67 AMP MG 0.459016 0.881579
68 AHZ 0.458333 0.845238
69 5AL 0.458015 0.884615
70 NAJ PZO 0.457516 0.853659
71 FA5 0.457143 0.886076
72 ADX 0.456693 0.790698
73 00A 0.455882 0.864198
74 DLL 0.455882 0.909091
75 NAJ PYZ 0.455128 0.813953
76 MYR AMP 0.453237 0.890244
77 9X8 0.452555 0.829268
78 ADP BMA 0.452555 0.873418
79 OAD 0.452555 0.873418
80 OZV 0.451852 0.871795
81 45A 0.451613 0.848101
82 ABM 0.451613 0.848101
83 6YZ 0.451128 0.85
84 SRP 0.451128 0.8625
85 8LH 0.451128 0.8625
86 A 0.45082 0.87013
87 AMP 0.45082 0.87013
88 PRX 0.449612 0.873418
89 ALF ADP 3PG 0.44898 0.821429
90 AMO 0.448529 0.8625
91 A3R 0.448529 0.864198
92 ADQ 0.448529 0.873418
93 HQG 0.447761 0.860759
94 V2G 0.44697 0.853659
95 ATP A A A 0.446809 0.907895
96 ATP A 0.446809 0.907895
97 NAD BBN 0.446429 0.847059
98 1ZZ 0.446043 0.890244
99 FYA 0.446043 0.884615
100 JNT 0.445255 0.873418
101 A22 0.444444 0.884615
102 ARG AMP 0.444444 0.835294
103 AR6 AR6 0.444444 0.896104
104 6V0 0.442177 0.853659
105 NAI 0.442177 0.864198
106 8QN 0.441176 0.884615
107 NAD CJ3 0.441176 0.818182
108 9SN 0.439716 0.876543
109 T99 0.439394 0.839506
110 TAT 0.439394 0.839506
111 LAD 0.438849 0.888889
112 PAJ 0.437956 0.821429
113 4AD 0.437956 0.875
114 4TA 0.437909 0.857143
115 SON 0.4375 0.886076
116 B5Y 0.43662 0.898734
117 B5M 0.43662 0.898734
118 KMQ 0.43662 0.839506
119 ME8 0.435714 0.823529
120 PTJ 0.435714 0.831325
121 BIS 0.435714 0.864198
122 LPA AMP 0.435374 0.890244
123 APC MG 0.435115 0.896104
124 AHX 0.434783 0.831325
125 4UU 0.434483 0.875
126 A12 0.433071 0.8625
127 AP2 0.433071 0.8625
128 25L 0.432624 0.884615
129 GTA 0.431507 0.86747
130 5SV 0.430657 0.876543
131 25A 0.430657 0.896104
132 4UV 0.430556 0.875
133 TXE 0.42953 0.8875
134 AF3 ADP 3PG 0.42953 0.821429
135 LAQ 0.428571 0.890244
136 NBP 0.428571 0.888889
137 139 0.427632 0.878049
138 G3A 0.427586 0.876543
139 APC 0.427481 0.8625
140 48N 0.425676 0.831325
141 NB8 0.425532 0.831325
142 TXA 0.425532 0.8625
143 G5P 0.424658 0.876543
144 AFH 0.424658 0.821429
145 SRA 0.424 0.82716
146 XAH 0.423611 0.86747
147 AU1 0.423077 0.85
148 TXD 0.422819 0.8875
149 4UW 0.422819 0.843373
150 AMP DBH 0.42069 0.873418
151 OMR 0.42 0.879518
152 NAD NDT 0.418994 0.734694
153 T5A 0.418301 0.847059
154 A4P 0.414474 0.786517
155 80F 0.414013 0.804598
156 Z5A 0.41358 0.827586
157 RBY 0.413534 0.8625
158 ADV 0.413534 0.8625
159 UP5 0.413333 0.875
160 MAP 0.413043 0.829268
161 F2R 0.412903 0.825581
162 IOT 0.411765 0.858824
163 EAD 0.411043 0.833333
164 TYM 0.410596 0.886076
165 COD 0.410256 0.83908
166 9ZD 0.410072 0.841463
167 9ZA 0.410072 0.841463
168 YLA 0.409091 0.869048
169 4TC 0.407895 0.853659
170 8ID 0.407895 0.888889
171 L3W 0.407895 0.8625
172 BT5 0.407643 0.858824
173 YLP 0.406667 0.869048
174 YLY 0.40625 0.858824
175 GA7 0.405405 0.839506
176 ODP 0.403846 0.865854
177 PAP 0.402985 0.858974
178 P1H 0.401198 0.835294
179 ADJ 0.4 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: CYH; Similar ligands found: 618
No: Ligand Similarity coefficient
1 MBN 1.0277
2 IPH 1.0269
3 8CL 1.0000
4 TTO 1.0000
5 V1L 1.0000
6 L60 1.0000
7 HVK 1.0000
8 9PO 1.0000
9 93B 1.0000
10 CXL 1.0000
11 2IM 1.0000
12 3AP 1.0000
13 LGA 1.0000
14 A2Q 1.0000
15 HHN 1.0000
16 GXE 1.0000
17 4AP 1.0000
18 HRZ 1.0000
19 WOT 1.0000
20 2AP 1.0000
21 AMT 0.9992
22 HAI 0.9990
23 PIH 0.9983
24 3MT 0.9970
25 ATQ 0.9962
26 BAQ 0.9950
27 HGW 0.9934
28 MZY 0.9912
29 CEJ 0.9904
30 MB3 0.9901
31 ICC 0.9887
32 KSW 0.9886
33 URA 0.9836
34 FPN 0.9826
35 3TR 0.9818
36 ECE 0.9814
37 MR3 0.9813
38 PLQ 0.9813
39 HQE 0.9813
40 26D 0.9810
41 CRS 0.9808
42 PCR 0.9806
43 GBL 0.9805
44 7EX 0.9803
45 5MP 0.9802
46 DA1 0.9800
47 HYN 0.9798
48 LG4 0.9795
49 24T 0.9787
50 SYN 0.9787
51 LG3 0.9786
52 RCO 0.9785
53 BVF 0.9785
54 1CB 0.9784
55 282 0.9783
56 CYT 0.9782
57 2MZ 0.9772
58 ABN 0.9771
59 8GF 0.9771
60 4CH 0.9770
61 HBX 0.9769
62 4MZ 0.9766
63 PXY 0.9759
64 HOW 0.9757
65 2CH 0.9756
66 1MZ 0.9753
67 25R 0.9749
68 DXX 0.9743
69 LG5 0.9741
70 DUC 0.9740
71 MMZ 0.9737
72 25T 0.9736
73 CIG 0.9733
74 3CH 0.9732
75 2KT 0.9727
76 NBE 0.9722
77 PYF 0.9721
78 2AI 0.9719
79 6SP 0.9717
80 BML 0.9716
81 4HS 0.9714
82 DTI 0.9707
83 5KX 0.9702
84 E60 0.9697
85 JZ6 0.9695
86 HGQ 0.9693
87 MLA 0.9692
88 B20 0.9690
89 4JN 0.9689
90 HTS 0.9687
91 BEW 0.9685
92 1DH 0.9684
93 BNZ 0.9683
94 HEW 0.9683
95 B3R 0.9678
96 HSL 0.9677
97 NVI 0.9670
98 HPY 0.9669
99 MLI 0.9665
100 IDH 0.9664
101 1MR 0.9661
102 TMZ 0.9661
103 M3T 0.9660
104 938 0.9659
105 TMT 0.9659
106 PY7 0.9655
107 4H2 0.9654
108 ES3 0.9650
109 J1Z 0.9649
110 4DX 0.9642
111 0PY 0.9639
112 XIX 0.9637
113 6X8 0.9635
114 BYZ 0.9630
115 IOL 0.9628
116 4XX 0.9628
117 URF 0.9622
118 PHZ 0.9621
119 H3M 0.9612
120 92Z 0.9604
121 KG7 0.9604
122 3ZQ 0.9597
123 284 0.9597
124 HHQ 0.9597
125 8LG 0.9597
126 BVC 0.9592
127 9CL 0.9582
128 JZ3 0.9576
129 1MC 0.9573
130 WBU 0.9568
131 4HO 0.9568
132 3ZS 0.9561
133 FP2 0.9557
134 1AN 0.9557
135 3PY 0.9557
136 MCT 0.9556
137 APY 0.9551
138 CAQ 0.9551
139 2AF 0.9547
140 PYJ 0.9547
141 4JU 0.9546
142 2MH 0.9546
143 2AC 0.9545
144 TDR 0.9542
145 L89 0.9537
146 40O 0.9535
147 RP7 0.9534
148 MAK 0.9533
149 FPI 0.9533
150 76X 0.9532
151 93Q 0.9524
152 275 0.9519
153 PYZ 0.9515
154 B24 0.9514
155 AMC 0.9511
156 ICP 0.9509
157 NK 0.9508
158 A1U 0.9504
159 3MC 0.9502
160 P1R 0.9499
161 MLM 0.9498
162 SER 0.9494
163 XYD 0.9493
164 2RA 0.9493
165 PYG 0.9493
166 34A 0.9492
167 R8A 0.9492
168 DMI 0.9488
169 OXM 0.9488
170 OXE 0.9487
171 DSN 0.9486
172 PYD 0.9484
173 PYR 0.9483
174 DGY 0.9481
175 4JP 0.9481
176 0CT 0.9480
177 IND 0.9480
178 GVH 0.9479
179 SMB 0.9476
180 3FA 0.9476
181 03W 0.9475
182 4CL 0.9475
183 4ZE 0.9473
184 MZ0 0.9472
185 2MP 0.9472
186 DBB 0.9471
187 A3B 0.9471
188 MWM 0.9469
189 GMN 0.9467
190 BVG 0.9463
191 PRI 0.9462
192 0R1 0.9461
193 FFP 0.9459
194 MBD 0.9459
195 JZ2 0.9459
196 HIU 0.9458
197 XBZ 0.9458
198 0R0 0.9457
199 LAC 0.9456
200 4JJ 0.9454
201 HUI 0.9452
202 MPI 0.9452
203 BZI 0.9451
204 HVQ 0.9450
205 2C9 0.9447
206 BZF 0.9446
207 27Y 0.9443
208 BR9 0.9440
209 LZ1 0.9437
210 2MY 0.9436
211 280 0.9436
212 5UC 0.9433
213 3CE 0.9432
214 FLM 0.9430
215 DEN 0.9424
216 1AC 0.9422
217 6MH 0.9419
218 XYS 0.9418
219 285 0.9414
220 TM4 0.9414
221 5MH 0.9411
222 DUB 0.9409
223 4AX 0.9404
224 XAP 0.9401
225 TH0 0.9401
226 MWJ 0.9393
227 DMG 0.9392
228 OXL 0.9389
229 39J 0.9388
230 WDL 0.9387
231 IDM 0.9387
232 DE2 0.9384
233 23W 0.9382
234 2CM 0.9382
235 JZ0 0.9381
236 C5J 0.9379
237 ABA 0.9379
238 THR 0.9373
239 2YU 0.9373
240 TAY 0.9368
241 286 0.9357
242 2ZX 0.9353
243 6UA 0.9350
244 FPY 0.9350
245 ALO 0.9348
246 5JC 0.9348
247 3MH 0.9346
248 3AY 0.9346
249 43M 0.9346
250 3OH 0.9346
251 OXD 0.9346
252 AX2 0.9342
253 HT4 0.9338
254 JZ9 0.9335
255 278 0.9332
256 TM7 0.9325
257 4JO 0.9321
258 5AN 0.9321
259 BU4 0.9320
260 XYP 0.9320
261 13X 0.9319
262 DAB 0.9313
263 5ZE 0.9313
264 0TR 0.9313
265 ERH 0.9311
266 1XX 0.9309
267 GBD 0.9301
268 GOL 0.9294
269 IUR 0.9286
270 TLD 0.9285
271 HBA 0.9285
272 C2N 0.9284
273 YAN 0.9280
274 JZ1 0.9278
275 2EZ 0.9278
276 2PC 0.9273
277 DCY 0.9267
278 SGL 0.9266
279 OXQ 0.9261
280 GXV 0.9258
281 NCA 0.9248
282 YHO 0.9248
283 MLT 0.9248
284 FOA 0.9245
285 BR8 0.9244
286 MRY 0.9243
287 CYS 0.9240
288 Y8I 0.9234
289 GOA 0.9233
290 BP9 0.9231
291 QOS 0.9231
292 LER 0.9229
293 BEN 0.9228
294 GAG 0.9226
295 265 0.9223
296 NBZ 0.9223
297 BEZ 0.9222
298 IMR 0.9218
299 HGY 0.9217
300 KIV 0.9215
301 MEU 0.9213
302 R2B 0.9212
303 R1X 0.9211
304 NCM 0.9207
305 PYC 0.9206
306 OHG 0.9201
307 PRO 0.9198
308 MMU 0.9198
309 JIF 0.9197
310 NIO 0.9196
311 5AC 0.9196
312 PPF 0.9194
313 SAR 0.9193
314 EDG 0.9192
315 AAE 0.9189
316 JBN 0.9189
317 BAL 0.9188
318 94N 0.9187
319 2OP 0.9185
320 4VP 0.9184
321 PYM 0.9184
322 AKB 0.9183
323 PZA 0.9181
324 MZG 0.9179
325 FW5 0.9178
326 BUA 0.9177
327 BUO 0.9177
328 HBS 0.9177
329 P2D 0.9175
330 1AB 0.9175
331 HDA 0.9173
332 SMV 0.9172
333 6PC 0.9171
334 VAL 0.9170
335 23A 0.9169
336 C21 0.9164
337 TFB 0.9163
338 RSF 0.9161
339 BAM 0.9161
340 DAL 0.9158
341 2HA 0.9153
342 TCZ 0.9152
343 192 0.9151
344 9X7 0.9150
345 SSN 0.9149
346 7CZ 0.9148
347 HSE 0.9148
348 TP5 0.9143
349 O7U 0.9138
350 HPA 0.9138
351 5Y9 0.9137
352 TZC 0.9130
353 HBR 0.9128
354 ALA 0.9128
355 AC0 0.9123
356 1PT 0.9123
357 ADE 0.9119
358 F81 0.9118
359 NEQ 0.9116
360 BTE 0.9113
361 BUQ 0.9112
362 LDU 0.9107
363 GLY 0.9106
364 ITU 0.9105
365 1DU 0.9103
366 3GR 0.9102
367 FAH 0.9102
368 SS2 0.9101
369 HLT 0.9100
370 SIN 0.9099
371 MAE 0.9093
372 BMD 0.9091
373 9HX 0.9090
374 CHT 0.9089
375 60P 0.9086
376 H8N 0.9086
377 NTN 0.9085
378 HY3 0.9081
379 NAK 0.9080
380 PRS 0.9080
381 M58 0.9080
382 UNU 0.9079
383 7HP 0.9077
384 ALQ 0.9074
385 2HE 0.9072
386 9DA 0.9070
387 VGL 0.9070
388 DTL 0.9069
389 FBA 0.9068
390 10L 0.9067
391 QSC 0.9066
392 RIP 0.9066
393 JZ5 0.9062
394 T2C 0.9060
395 PAE 0.9057
396 NIS 0.9057
397 F3V 0.9054
398 NIE 0.9054
399 7WA 0.9054
400 C2A 0.9052
401 HAE 0.9052
402 DFU 0.9050
403 7MH 0.9050
404 BAE 0.9048
405 MTG 0.9047
406 GLV 0.9046
407 0MK 0.9044
408 3BB 0.9041
409 T6C 0.9030
410 PBC 0.9027
411 PPI 0.9024
412 AZF 0.9020
413 LMR 0.9016
414 BP1 0.9012
415 PM6 0.9011
416 ASP 0.9008
417 MZW 0.9007
418 DPR 0.9006
419 3HL 0.9006
420 9YL 0.9005
421 9TY 0.9005
422 IFM 0.9003
423 4JL 0.9003
424 SAL 0.8999
425 273 0.8998
426 ETF 0.8997
427 2DR 0.8997
428 AOA 0.8995
429 6MP 0.8990
430 47J 0.8981
431 YCP 0.8981
432 ARA 0.8980
433 ABE 0.8980
434 SS1 0.8980
435 BE2 0.8979
436 R3W 0.8978
437 C2B 0.8978
438 D2P 0.8978
439 ES4 0.8977
440 64K 0.8977
441 3U4 0.8975
442 FUL 0.8975
443 HVB 0.8973
444 VNJ 0.8971
445 ARB 0.8961
446 4JM 0.8961
447 69O 0.8956
448 IT2 0.8955
449 3HR 0.8955
450 AGU 0.8946
451 FLA 0.8945
452 SEJ 0.8944
453 FUF 0.8943
454 4SV 0.8941
455 NHY 0.8941
456 AKR 0.8940
457 OAA 0.8937
458 MRZ 0.8937
459 DFB 0.8934
460 JFD 0.8933
461 JZ7 0.8930
462 OXZ 0.8929
463 RIB 0.8927
464 IVA 0.8927
465 98J 0.8926
466 HCS 0.8923
467 FYU 0.8923
468 NMU 0.8922
469 JBE 0.8921
470 TSZ 0.8921
471 3Z7 0.8920
472 LXC 0.8918
473 ATO 0.8917
474 270 0.8916
475 ES6 0.8916
476 61G 0.8912
477 BNS 0.8907
478 AGK 0.8907
479 F50 0.8907
480 TBP 0.8906
481 IP0 0.8902
482 3SK 0.8897
483 AHR 0.8896
484 CIZ 0.8896
485 CSS 0.8895
486 ALF 0.8892
487 CP 0.8891
488 4XR 0.8891
489 3XX 0.8885
490 NVA 0.8883
491 BZX 0.8882
492 CRN 0.8882
493 DTU 0.8880
494 IQ0 0.8876
495 FUB 0.8873
496 AX7 0.8870
497 YTB 0.8867
498 ITN 0.8866
499 GIF 0.8865
500 6HQ 0.8862
501 HZP 0.8862
502 2MI 0.8860
503 FUC 0.8859
504 RUU 0.8852
505 BUB 0.8852
506 2A7 0.8851
507 RSO 0.8848
508 QFH 0.8842
509 KYD 0.8841
510 F05 0.8839
511 3CL 0.8833
512 Z6J 0.8830
513 URP 0.8829
514 TF4 0.8829
515 9EW 0.8826
516 H76 0.8824
517 TZE 0.8823
518 DCD 0.8821
519 1WD 0.8820
520 JKE 0.8818
521 ASN 0.8813
522 HMH 0.8810
523 ZZT 0.8810
524 51F 0.8805
525 FAN 0.8805
526 FCN 0.8804
527 PCA 0.8802
528 KOJ 0.8799
529 FCA 0.8797
530 HV2 0.8795
531 POA 0.8793
532 HY1 0.8792
533 261 0.8791
534 MGX 0.8786
535 SVN 0.8785
536 HX3 0.8784
537 PHB 0.8780
538 2XX 0.8777
539 260 0.8777
540 HSM 0.8777
541 9A4 0.8776
542 8NY 0.8775
543 ICN 0.8774
544 NMJ 0.8773
545 ODV 0.8772
546 XPO 0.8769
547 TAU 0.8768
548 24B 0.8763
549 32O 0.8763
550 UY7 0.8761
551 HMU 0.8760
552 VAH 0.8759
553 HYP 0.8746
554 8H8 0.8746
555 3NT 0.8742
556 PEL 0.8740
557 NSP 0.8735
558 PBE 0.8734
559 14J 0.8728
560 CEE 0.8726
561 TH7 0.8724
562 2CK 0.8723
563 8EZ 0.8713
564 271 0.8707
565 PAF 0.8707
566 40E 0.8706
567 J3K 0.8703
568 PAV 0.8702
569 DTT 0.8701
570 1DQ 0.8700
571 TB6 0.8698
572 L3Q 0.8698
573 EGD 0.8695
574 FP1 0.8691
575 KPL 0.8689
576 PEA 0.8688
577 IHG 0.8687
578 BDR 0.8685
579 PUT 0.8682
580 53C 0.8678
581 UYA 0.8671
582 1WG 0.8671
583 ZZ3 0.8670
584 Z82 0.8670
585 TAR 0.8669
586 NPO 0.8663
587 150 0.8660
588 2A3 0.8659
589 34V 0.8659
590 CXF 0.8648
591 GAB 0.8644
592 BTL 0.8637
593 3HB 0.8635
594 TLA 0.8633
595 RM4 0.8631
596 GRE 0.8628
597 2A1 0.8620
598 RNS 0.8620
599 OVV 0.8618
600 AUD 0.8610
601 FQI 0.8610
602 3BZ 0.8606
603 6F0 0.8604
604 6M4 0.8601
605 2CQ 0.8601
606 45C 0.8587
607 Q88 0.8587
608 3F0 0.8582
609 1LN 0.8573
610 3V4 0.8569
611 4MA 0.8568
612 S0H 0.8565
613 URQ 0.8562
614 3M0 0.8558
615 PAB 0.8556
616 PBZ 0.8554
617 AC6 0.8538
618 ETM 0.8533
Ligand no: 2; Ligand: NDC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RJ5; Ligand: NAD; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 3rj5.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 1VL8 NAP 30.7087
2 1VL8 NAP 30.7087
3 2WSB NAD 32.2835
4 6OW4 NAD 32.6531
5 3P19 NDP 32.6772
6 1NFQ NAI 33.8462
7 1NFQ NAI 33.8462
8 1NFQ NAI 33.8462
9 1NFQ NAI 33.8462
10 6VSP NAD 35.0598
11 4RF2 NAP 35.8268
12 4RF2 NAP 35.8268
13 1GEG NAD 38.189
14 1GEG NAD 38.189
15 1GEG NAD 38.189
16 1GEG NAD 38.189
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