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Receptor
PDB id Resolution Class Description Source Keywords
1SNY 1.75 Å EC: 1.-.-.- CARBONYL REDUCTASE SNIFFER OF D. MELANOGASTER DROSOPHILA MELANOGASTER ALPHA AND BETA PROTEIN ROSSMANN FOLD DINUCLEOTIDE BINDING OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO THE NEUROPROTECTIVE-ACTING REDUCTASE SNIFFER OF DROSOPHILA MELANOGASTER. J.MOL.BIOL. V. 342 1613 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:400;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SNY 1.75 Å EC: 1.-.-.- CARBONYL REDUCTASE SNIFFER OF D. MELANOGASTER DROSOPHILA MELANOGASTER ALPHA AND BETA PROTEIN ROSSMANN FOLD DINUCLEOTIDE BINDING OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO THE NEUROPROTECTIVE-ACTING REDUCTASE SNIFFER OF DROSOPHILA MELANOGASTER. J.MOL.BIOL. V. 342 1613 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1SNY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1SNY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3WXB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1SNY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SNY; Ligand: NAP; Similar sites found with APoc: 357
This union binding pocket(no: 1) in the query (biounit: 1sny.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5OOH 9ZZ None
2 5OOH NAP None
3 1LSS NAD None
4 5X9D 80F None
5 4FGC PQ0 None
6 3KO8 NAD 0.749064
7 1BXK NAD 1.1236
8 1BW9 NAD 1.1236
9 2ZSC BTN 1.41844
10 1E5Q NDP 1.49813
11 1H5S TMP 1.49813
12 5UAV TFB 1.49813
13 1EK6 NAI 1.87266
14 1ORR NAD 1.87266
15 1EK6 UPG 1.87266
16 6EL3 NAP 1.87266
17 2UYQ SAM 1.87266
18 2HYV UAP SGN IDS SGN IDS 1.87266
19 3BP1 GUN 1.87266
20 2VUT NAD 1.87266
21 5LD5 NAD 1.87266
22 1TI7 NAP 1.87266
23 2BKA NDP 2.06612
24 4PVD NDP 2.24719
25 1GY8 NAD 2.24719
26 5DF1 58X 2.24719
27 5DF1 NAP 2.24719
28 3O7W SAM 2.24719
29 4D79 ATP 2.24719
30 5T9F TYR 2.24719
31 3H9E NAD 2.24719
32 1RM4 NDP 2.24719
33 5T9F NAP 2.24719
34 3QV1 NAD 2.24719
35 1J5P NAD 2.37154
36 4EKV BTN 2.51572
37 6DWI HD4 2.57511
38 3RDO BTN 2.61438
39 1V35 NAI 2.62172
40 2YY7 NAD 2.62172
41 5MSO NAP 2.62172
42 2CUN 3PG 2.62172
43 1H9A NAP 2.62172
44 2GCG NDP 2.62172
45 6A0S NDP 2.62172
46 6A0S HSE 2.62172
47 1LDN NAD 2.62172
48 2Q46 NAP 2.7668
49 3OJF IMJ 2.99625
50 3OJF NDP 2.99625
51 5BJX NAD 2.99625
52 1E7S NAP 2.99625
53 5BJX UDP 2.99625
54 1OC2 NAD 2.99625
55 1OC2 TDX 2.99625
56 3B1F NAD 2.99625
57 5E9W SAH 2.99625
58 2F1K NAP 2.99625
59 5FJJ MAN 2.99625
60 1BZL FAD 2.99625
61 2PXX SAH 2.99625
62 2VZ0 NAP 3.35821
63 2VZ0 D64 3.35821
64 2WD7 NAP 3.35821
65 1UDB UFG 3.37079
66 1UDB NAD 3.37079
67 1KEW NAD 3.37079
68 1KEW TYD 3.37079
69 2X6T NAP 3.37079
70 5JAQ NAI 3.37079
71 2EXX NAP 3.37079
72 2I3G NAP 3.37079
73 1RJD SAM 3.37079
74 5WXU FLC 3.37079
75 1UXG FUM 3.37079
76 1UXG NAD 3.37079
77 4DPL NAP 3.37079
78 1LDM NAD 3.37079
79 2DBZ NAP 3.37079
80 3A4V PYR 3.74532
81 3A4V NAD 3.74532
82 4O1M NAD 3.74532
83 1RPN NDP 3.74532
84 4TQG NDP 3.74532
85 2C29 NAP 3.74532
86 2C29 DQH 3.74532
87 5EIN NAP 3.74532
88 1YS4 NAP 3.74532
89 4GKV NAD 3.74532
90 1DSS NAD 3.74532
91 3WLE NAD 3.74532
92 1LTH NAD 3.74532
93 4NFE BEN 3.79747
94 2DKN NAI 3.92157
95 4Q9N NAI 4.11985
96 4GLL NAD 4.11985
97 1R6D NAD 4.11985
98 1R6D DAU 4.11985
99 3ABI NAD 4.11985
100 4Z0H NAD 4.11985
101 3V1Y NAD 4.11985
102 5MB4 NDG 4.11985
103 2AK3 AMP 4.11985
104 4GGZ BTN 4.34783
105 1LVW TYD 4.40678
106 1WUW TSU 4.44444
107 1D7O TCL 4.49438
108 1D7O NAD 4.49438
109 5K4W NAI 4.49438
110 5K4W THR 4.49438
111 1I2B UPG 4.49438
112 1I2B USQ 4.49438
113 1I2B NAD 4.49438
114 1EQ2 NAP 4.49438
115 1V6A TRE 4.49438
116 3L4S 3PG 4.49438
117 3L4S NAD 4.49438
118 1GAD NAD 4.49438
119 1GV0 NAD 4.49438
120 2WGH DTP 4.49438
121 2VYN NAD 4.49438
122 1Z45 NAD 4.86891
123 5MLR GRQ 4.86891
124 5MLR NAP 4.86891
125 3I6I NDP 4.86891
126 3FSY SCA 4.86891
127 3CMC NAD 4.86891
128 2D2I NAP 4.86891
129 1CER NAD 4.86891
130 3B20 NAD 4.86891
131 3EW2 BTN 5.18518
132 4JNJ BTN 5.21739
133 1HDG NAD 5.24345
134 3A06 NDP 5.24345
135 6HDT BTN 5.26316
136 2HMT NAI 5.55556
137 1UWK NAD 5.61798
138 1UWK URO 5.61798
139 3T2W BTN 5.7377
140 4HXY NDP 5.99251
141 4FBL SPD 5.99251
142 2ZWA SAH 5.99251
143 4RPL FAD 5.99251
144 4RPL 3UC 5.99251
145 5N2I NAP 6.03448
146 1HDR NAD 6.14754
147 1ZBQ NAD 6.36704
148 2C5A GDC 6.36704
149 2C5A NAD 6.36704
150 4PIV NDP 6.36704
151 1HYE NAP 6.36704
152 1LLU NAD 6.36704
153 1SOW NAD 6.36704
154 3RFV NAI 6.74157
155 3RFV 15L 6.74157
156 5FA5 MTA 6.74157
157 4U7W NDP 7.11611
158 4EUE NAI 7.11611
159 3H4V NAP 7.11611
160 3H4V DVP 7.11611
161 3H8V ATP 7.11611
162 3W6X HZP 7.42358
163 1RKX NAD 7.49064
164 1WVG APR 7.49064
165 2B4R NAD 7.49064
166 2B4R AES 7.49064
167 5L95 AMP 7.5
168 2DC1 NAD 7.62712
169 1F8G NAD 7.86517
170 5F8F SFG 7.86517
171 1GZ6 NAI 8.2397
172 5XNC MTA 8.2397
173 3L9W AMP 8.2397
174 2OOR NAD 8.2397
175 2FR1 NDP 8.43621
176 5L53 NAP 8.61423
177 4J1Q NDP 8.61423
178 3GGO ENO 8.61423
179 3GGO NAI 8.61423
180 3H5N ATP 8.61423
181 4RDH AMP 8.61423
182 4Z28 BTN 8.95522
183 6FP4 FAD 8.98876
184 6FP4 E1T 8.98876
185 5XWV NDP 9.07258
186 5XWV 8H6 9.07258
187 3CIF G3H 9.3633
188 3CIF NAD 9.3633
189 3WQQ IB3 9.3633
190 3WQQ NDP 9.3633
191 5YEC ATP 9.73783
192 3PLN U5P 10.1124
193 1A5Z NAD 10.1124
194 3RJ5 NAD 10.2362
195 4XQC NAD 10.4869
196 4XQC 13D 10.4869
197 1FEC FAD 10.8614
198 1ZK7 FAD 11.236
199 3OIG NAD 11.2782
200 4BQS K2Q 11.3636
201 4P86 5GP 11.4754
202 4ZRN NAD 11.6105
203 4ZRN UPG 11.6105
204 2PZM UDP 11.6105
205 2PZM NAD 11.6105
206 2VT3 ATP 11.6279
207 2GZ3 NAP 11.985
208 2Q1S NAI 12.3596
209 5IN4 6CK 12.7341
210 5IN4 GDP 12.7341
211 5IN4 NAP 12.7341
212 3ORF NAD 12.749
213 5L4S NAP 13.1086
214 5L4S 6KX 13.1086
215 4LHD GLY 13.1086
216 5LUB 3Y7 13.3588
217 1N7G NDP 13.4831
218 1N7G GDR 13.4831
219 5ZEC NAP 13.4831
220 3O26 NDP 14.4695
221 1NNU TCT 14.8472
222 1NNU NAD 14.8472
223 4FC7 COA 14.9813
224 4FC7 NAP 14.9813
225 1Y1P NMN AMP PO4 14.9813
226 2XVM SAH 15.5779
227 3LU1 NAD 15.6593
228 1SB8 UD2 15.7303
229 1SB8 NAD 15.7303
230 4JLS 3ZE 15.7895
231 1YXM ADE 16.4794
232 1OAA OAA 16.6023
233 4G5H UD7 17.603
234 4G5H NAP 17.603
235 4OOE FOM 17.603
236 4OOE NDP 17.603
237 4CM9 NAP 17.9775
238 3BMN NAP 17.9775
239 4CLR NAP 17.9775
240 3JQ7 NAP 17.9775
241 3JQB NAP 17.9775
242 3JQ9 NAP 17.9775
243 4CMI NAP 17.9775
244 4CLO NAP 17.9775
245 4CME NAP 17.9775
246 3JQA NAP 17.9775
247 4CM8 NAP 17.9775
248 3JQG NAP 17.9775
249 4CM4 NAP 17.9775
250 3JQF NAP 17.9775
251 3BMQ NAP 17.9775
252 3BMO NAP 17.9775
253 3JQ8 NAP 17.9775
254 2GDZ NAD 18.3521
255 2GN4 NDP 18.3521
256 2GN4 UD1 18.3521
257 5Y1G AKB 19.1011
258 5Y1G NAD 19.1011
259 2Q1W NAD 19.4757
260 6BWL NAD 20.5993
261 1QG6 NAD 21.0728
262 1QG6 TCL 21.0728
263 6DNT NAD 23.5955
264 2BD0 NAP 23.7705
265 4OHU NAD 24.5675
266 4OHU 2TK 24.5675
267 4J7U NAP 24.6528
268 4J7U YTZ 24.6528
269 5CG1 NAD BBN 25.0936
270 4URF NAD 25.8065
271 2WYV NAD 26.0536
272 6F9Q NAD 26.5918
273 1XSE NDP 28.4746
274 3QWI CUE 29.6296
275 3QWI NAP 29.6296
276 1E3W NAD 29.8851
277 1E6W NAD 30
278 1G0N NDP 30.3371
279 1G0N PHH 30.3371
280 2PD4 NAD 30.3371
281 2PD4 DCN 30.3371
282 3CH6 311 30.7116
283 3CH6 NAP 30.7116
284 1FK8 NAD 30.7393
285 5OJI ISN 30.7692
286 5OJI NAP 30.7692
287 1GEE NAD 31.4176
288 2DTX BMA 31.4394
289 1VL8 NAP 31.4607
290 4K26 NDP 31.4607
291 4K26 SFF 31.4607
292 2Q2V NAD 31.7647
293 1W6U NAP 31.7881
294 1W73 NAP 31.7881
295 1W8D NAP 31.7881
296 1U7T TDT 32.1839
297 1U7T NAD 32.1839
298 1Z6Z NAP 32.5843
299 5EJ2 NAD 32.5843
300 1X1T NAD 32.6923
301 5I7S NAD 32.9588
302 5I7S E9P 32.9588
303 3AY6 NAI 33.3333
304 3AY6 BGC 33.3333
305 2WSB NAD 33.4646
306 3NUG NAD 33.6032
307 1AE1 NAP 33.7079
308 5OVL NAP 33.7079
309 3V1U NAD 34.0824
310 1ZK4 NAP 34.2629
311 1ZK4 AC0 34.2629
312 1ZEM NAD 34.3511
313 3VZS CAA 34.4569
314 3VZS NAP 34.4569
315 3AFN NAP 34.4961
316 1O5I NAD 34.5382
317 2AE2 PTO 34.6154
318 2AE2 NAP 34.6154
319 2CFC NAD 34.8
320 1NFQ NAI 35
321 5OVK NDP 35.1562
322 3ZV6 NAD 35.206
323 3ZV6 4HB 35.206
324 5Z2L NDP 35.5102
325 1GEG NAD 35.5469
326 1A27 NAP 35.5805
327 3HB5 NAP 35.5805
328 2ZAT NAP 35.5805
329 4D42 W0I 35.5805
330 4D42 NAP 35.5805
331 1UZN NAP 35.6275
332 5B4T NAD 35.7692
333 5B4T 3HR 35.7692
334 3RKR NAP 36.2595
335 6CI9 NAP 36.6795
336 2RH4 EMO 36.7041
337 1XKQ NDP 36.7041
338 1WMA NDP 37.0787
339 1WMA AB3 37.0787
340 4NBT NAD 37.0833
341 4ZA2 NAD 37.1542
342 3OID NDP 37.2093
343 3ICC NAP 38.0392
344 1H5Q NAP 38.1132
345 1PR9 NAP 38.5246
346 3D3W NAP 38.5246
347 5O42 NAD 38.6861
348 5O42 BGC 38.6861
349 5O42 9JW 38.6861
350 4QED NAP 38.7097
351 1Q7B NAP 38.9344
352 1N5D NDP 39.3258
353 4CQM NAP 39.3443
354 3SJ7 NDP 39.6825
355 1XHL NDP 40.0749
356 2B4Q NAP 40.824
357 3O03 NAP 41.573
Pocket No.: 2; Query (leader) PDB : 1SNY; Ligand: NAP; 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: 1sny.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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