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Receptor
PDB id Resolution Class Description Source Keywords
4R1S 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF PETUNIA HYDRIDA CINNAMOYL-COA REDUCTASE PETUNIA X HYBRIDA CINNAMOYL-COA REDUCTASE SHORT-CHAIN DEHYDROGENASE/REDUCTASEOXIDOREDUCTASE
Ref.: STRUCTURAL STUDIES OF CINNAMOYL-COA REDUCTASE AND CINNAMYL-ALCOHOL DEHYDROGENASE, KEY ENZYMES OF MONO BIOSYNTHESIS. PLANT CELL V. 26 3709 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R1S 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF PETUNIA HYDRIDA CINNAMOYL-COA REDUCTASE PETUNIA X HYBRIDA CINNAMOYL-COA REDUCTASE SHORT-CHAIN DEHYDROGENASE/REDUCTASEOXIDOREDUCTASE
Ref.: STRUCTURAL STUDIES OF CINNAMOYL-COA REDUCTASE AND CINNAMYL-ALCOHOL DEHYDROGENASE, KEY ENZYMES OF MONO BIOSYNTHESIS. PLANT CELL V. 26 3709 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4R1S - 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 4R1S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C29 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3C1T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4R1S - 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 : 4R1S; Ligand: NAP; Similar sites found with APoc: 517
This union binding pocket(no: 1) in the query (biounit: 4r1s.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4K6B GLU None
2 3NJ4 AFX 1.18694
3 3NJ4 NAD 1.18694
4 5KKA 6V0 1.28205
5 6EL3 NAP 1.48368
6 5UR0 NAD 1.48368
7 3S5W FAD 1.48368
8 5LD5 NAD 1.48368
9 1GUZ NAD 1.6129
10 5Z2L NDP 1.63265
11 4EUE NAI 1.78042
12 3K5I AIR 1.78042
13 5ZI2 NAD 1.78042
14 5ZI2 ADP 1.78042
15 1H2B NAJ 1.78042
16 3GCM 5GP 1.78042
17 6FP4 E1T 1.78042
18 1R37 NAD 1.78042
19 1XKQ NDP 1.78571
20 4ZVV NAD 1.80723
21 4ZVV GN0 1.80723
22 1J0X NAD 1.80723
23 1LDM NAD 1.82371
24 5XH2 NPO 1.9084
25 5CAE COA 1.91693
26 5CAE SIN 1.91693
27 4YCA NDP 2.04082
28 2BD0 NAP 2.04918
29 5MLR GRQ 2.07715
30 5MLR NAP 2.07715
31 1BW9 NAD 2.07715
32 2J5V PCA 2.07715
33 1P7T PYR 2.07715
34 5JAQ NAI 2.07715
35 1E5Q NDP 2.07715
36 2B5W NAP 2.07715
37 1D8C GLV 2.07715
38 3OPT AKG 2.07715
39 1MV8 NAD 2.07715
40 1MUU NAD 2.07715
41 3CMC NAD 2.09581
42 2DBZ NAP 2.09581
43 2VYN NAD 2.1148
44 1GAD NAD 2.12121
45 5V6F MAN BMA MAN 2.17391
46 3C1O NAP 2.18069
47 1DRV A3D 2.1978
48 1NYT NAP 2.21402
49 3OIG NAD 2.25564
50 3EB9 FLC 2.25564
51 2WSB NAD 2.3622
52 1RM0 D6P 2.37389
53 1RM0 NAI 2.37389
54 3ABI NAD 2.37389
55 3H5N ATP 2.37389
56 1H6C SIN 2.37389
57 1H6C NDP 2.37389
58 1RYD NDP 2.37389
59 3H9E NAD 2.37389
60 5GWE GWM 2.37389
61 2JHF NAD 2.37389
62 1ZGS XMM 2.37389
63 5YEC ATP 2.52101
64 2RH4 EMO 2.52708
65 4FC7 COA 2.52708
66 4FC7 NAP 2.52708
67 1GV0 NAD 2.58065
68 3WBF API 2.62295
69 3WBF NAP 2.62295
70 1W73 NAP 2.64901
71 1W8D NAP 2.64901
72 1TE2 PGA 2.65487
73 3CIF G3H 2.67062
74 1UWK URO 2.67062
75 1UWK NAD 2.67062
76 3CIF NAD 2.67062
77 1PL6 NAD 2.67062
78 1PL6 572 2.67062
79 3BAZ NAP 2.7027
80 3ORF NAD 2.78884
81 1EBF NAD 2.7933
82 2A92 NAI 2.80374
83 3GGO ENO 2.86624
84 3GGO NAI 2.86624
85 3O9Z AKG 2.88462
86 3O9Z NAD 2.88462
87 2OS2 OGA 2.88714
88 2YBP 2HG 2.88714
89 5LY1 PPI 2.88714
90 5X9D 80F 2.96053
91 2OG2 MLI 2.96736
92 2D2I NAP 2.96736
93 2DFV NAD 2.96736
94 5JCM FAD 2.96736
95 5JCM NAD 2.96736
96 5JCM ISD 2.96736
97 3LZW FAD 3.01205
98 3LZW NAP 3.01205
99 5OJI NAP 3.07692
100 5OJI ISN 3.07692
101 4O1M NAD 3.1746
102 2CFC NAD 3.2
103 4QED NAP 3.22581
104 5AYV NAP 3.23625
105 3AFN NAP 3.2641
106 2Q8E OGA 3.2641
107 1VRP IOM 3.2641
108 3GFB NAD 3.2641
109 1F8G NAD 3.2641
110 1GR0 NAD 3.2641
111 2P5B OGA 3.2641
112 5NA1 FAD 3.2641
113 4R5M NAP 3.2641
114 1YS4 NAP 3.2641
115 1TI7 NAP 3.2641
116 4JDR FAD 3.2641
117 3R7F CP 3.28947
118 4Z0H NAD 3.29341
119 3QWI CUE 3.33333
120 3QWI NAP 3.33333
121 2GCG NDP 3.33333
122 1V35 NAI 3.34347
123 6BXO SAH 3.36391
124 3O03 NAP 3.43643
125 1J1R ADE 3.44828
126 1WP4 NDP 3.46021
127 2QLU ADE 3.50318
128 3O26 NDP 3.53698
129 2OOR NAD 3.56083
130 5A04 BGC 3.56083
131 5A04 NDP 3.56083
132 1PJS NAD 3.56083
133 6BXL SAM 3.56083
134 1SC6 NAD 3.56083
135 5JY6 NAD 3.56083
136 2CDC XYP 3.56083
137 2CDC NAP 3.56083
138 4OJP MAL 3.56083
139 3G5S FAD 3.56083
140 2CDC XYS 3.56083
141 4GKV NAD 3.57143
142 2F1K NAP 3.58423
143 1AE1 NAP 3.663
144 5OVL NAP 3.66667
145 5UAV TFB 3.72671
146 5UAV NDP 3.72671
147 2E5Y ATP 3.7594
148 6HKE LMR 3.77358
149 6HKE MLT 3.77358
150 1NE7 AGP 3.80623
151 4HXY NDP 3.85757
152 5DF1 58X 3.85757
153 5DF1 NAP 3.85757
154 1H9A NAP 3.85757
155 3V1Y NAD 3.85757
156 4X1B MLI 3.85757
157 2B4R NAD 3.85757
158 2B4R AES 3.85757
159 5DN9 NAD 3.85757
160 5H81 NAP 3.85757
161 2UYQ SAM 3.87097
162 1DSS NAD 3.9039
163 6BII NAP 3.9039
164 3LTW HLZ 3.92857
165 1WMA AB3 3.98551
166 1WMA NDP 3.98551
167 1A5Z NAD 4.07523
168 1EZ4 NAD 4.08805
169 2UVO NDG 4.09357
170 1HDR NAD 4.09836
171 4CPB GAL CN8 4.13223
172 3B1F NAD 4.13793
173 2Q1S NAI 4.1543
174 4AP3 FAD 4.1543
175 4AP3 NAP 4.1543
176 1QG6 NAD 4.21456
177 1QG6 TCL 4.21456
178 9LDB NAD 4.21687
179 9LDT NAD 4.21687
180 4B1L FRU 4.24242
181 1ZBQ NAD 4.28135
182 5MIT FAD 4.28135
183 5MIT NAP 4.28135
184 4M52 FAD 4.29185
185 5OVK NDP 4.29688
186 1W6U NAP 4.30464
187 5N2I NAP 4.31034
188 2Q2V NAD 4.31373
189 3RJ5 NAD 4.33071
190 2YY7 NAD 4.45104
191 3V1U NAD 4.45104
192 5A1T NAI 4.45104
193 2R2N KYN 4.45104
194 5A1T OXM 4.45104
195 4OOE FOM 4.45104
196 1MO9 KPC 4.45104
197 1MO9 FAD 4.45104
198 4OOE NDP 4.45104
199 2CDU ADP 4.45104
200 3ULK NDP 4.45104
201 5EES NAP 4.45344
202 4DPL NAP 4.45682
203 4NZ6 DGL 4.47284
204 1HYH NAD 4.53074
205 1I36 NAP 4.54545
206 3HAD NAD 4.54545
207 1SOW NAD 4.57317
208 4BGB ADP 4.61538
209 6AA8 NAD 4.63576
210 1FNZ A2G 4.64135
211 4TQG NDP 4.64396
212 3OID NDP 4.65116
213 3WUR O4B 4.67836
214 1GZ6 NAI 4.70219
215 1XSE NDP 4.74576
216 3I6I NDP 4.74777
217 2GZ3 NAP 4.74777
218 1GZ4 ATP 4.74777
219 2NZ2 ASP 4.74777
220 2NAD NAD 4.74777
221 3SJ7 NDP 4.7619
222 3L4S 3PG 4.7619
223 3L4S NAD 4.7619
224 6CEP OXM 4.79042
225 6CEP NAD 4.79042
226 4KBA 1QM 4.83384
227 4J7U YTZ 4.86111
228 4J7U NAP 4.86111
229 3CH6 NAP 4.8951
230 3CH6 311 4.8951
231 2EV9 SKM 4.94297
232 1Z6Z NAP 4.96454
233 1VKO NAD 5.04451
234 1U1I NAD 5.04451
235 4W6Z 8ID 5.04451
236 2ZJ1 ARJ 5.04451
237 2ZJ1 NAD 5.04451
238 3VZS CAA 5.05837
239 3VZS NAP 5.05837
240 4BVA NDP 5.07463
241 2F5X ASP 5.12821
242 4YJK URA 5.15873
243 1YXM ADE 5.28053
244 1SAY PYR 5.34125
245 3SHR CMP 5.35117
246 4Q9N NAI 5.36913
247 1X1T NAD 5.38462
248 4MDH NAD 5.38922
249 5MDH NAD 5.40541
250 4NBT NAD 5.41667
251 1CER NAD 5.43807
252 1NVM NAD 5.44872
253 1KYQ NAD 5.47445
254 3VPH OXM 5.48387
255 3VPH NAD 5.48387
256 2CVQ NDP 5.50459
257 3ENV ABF 5.53191
258 4ZA2 NAD 5.5336
259 5T9E NAP 5.53506
260 1E7S NAP 5.60748
261 3LL5 IP8 5.62249
262 1RM4 NDP 5.63798
263 3DZD ADP 5.63798
264 1G0N NDP 5.65371
265 1G0N PHH 5.65371
266 1V6A TRE 5.72289
267 5G1N PAL 5.73248
268 1U7T TDT 5.74713
269 1U7T NAD 5.74713
270 1UXG NAD 5.82524
271 1UXG FUM 5.82524
272 3FXU TSU 5.90164
273 5T9F TYR 5.90406
274 5T9F NAP 5.90406
275 1HDC CBO 5.90551
276 3L9W AMP 5.93472
277 4XQC 13D 5.93472
278 4XQC NAD 5.93472
279 4L8V NAP 5.93472
280 1LTH NAD 5.95611
281 5JE8 NAD 5.96026
282 5L8L ADP 5.98291
283 2GDZ NAD 5.99251
284 1UZN NAP 6.07287
285 3QV1 NAD 6.09756
286 1E3W NAD 6.13027
287 1E6W NAD 6.15385
288 2B4Q NAP 6.15942
289 5O42 9JW 6.20438
290 5O42 BGC 6.20438
291 5O42 NAD 6.20438
292 1WDK NAD 6.23145
293 1HKU NAD 6.23145
294 2HMT NAI 6.25
295 3GD8 GOL 6.27803
296 1HDG NAD 6.3253
297 2DC1 NAD 6.35593
298 1KSK URA 6.41026
299 2Z9I GLY ALA THR VAL 6.48148
300 2WYV NAD 6.51341
301 4K26 NDP 6.52174
302 4K26 SFF 6.52174
303 3NB0 G6P 6.52819
304 3A06 NDP 6.52819
305 3UDZ ADP 6.69371
306 4PIV NDP 6.82493
307 1LLU NAD 6.82493
308 1J5P NAD 6.82493
309 1W6F ISZ 6.83453
310 4CQM NAP 6.96721
311 4D3F NAP 7.09677
312 3TWO NDP 7.12166
313 5Z21 NAI 7.12166
314 5AOV NAP 7.14286
315 1ZK4 AC0 7.17131
316 1ZK4 NAP 7.17131
317 5ZZ6 ADP 7.21154
318 5ZZ6 NAD 7.21154
319 6A0S NDP 7.22892
320 6A0S HSE 7.22892
321 1PZG A3D 7.25076
322 1O6Z NAD 7.26073
323 4OHU NAD 7.26644
324 4OHU 2TK 7.26644
325 2JAC GSH 7.27273
326 2VT3 ATP 7.44186
327 2DKN NAI 7.45098
328 1T26 NAI 7.45342
329 1T26 GBD 7.45342
330 5E5U MLI 7.53769
331 5X2N ALA 7.55556
332 1NFQ NAI 7.69231
333 5L53 NAP 7.71605
334 2PV7 NAD 7.71812
335 6ACS CIT 7.75194
336 1Q7B NAP 7.78689
337 5CG1 NAD BBN 7.86885
338 2GSD NAD 8.01187
339 3RKR NAP 8.01527
340 2DT5 NAD 8.05687
341 5B4T 3HR 8.07692
342 5B4T NAD 8.07692
343 2ZAT NAP 8.07692
344 3OA2 NAD 8.1761
345 3AY6 BGC 8.17844
346 3AY6 NAI 8.17844
347 4XYB NDP 8.18414
348 3WXB NDP 8.24373
349 3ZV6 4HB 8.54093
350 3ZV6 NAD 8.54093
351 1LSS NAD 8.57143
352 4NTO 1PW 8.69565
353 1XXR MAN 8.69565
354 4KOA NDP 8.70871
355 1LUA NAP 8.7108
356 1P77 ATR 8.82353
357 2AE2 NAP 8.84615
358 2AE2 PTO 8.84615
359 2BKA NDP 9.09091
360 1O5I NAD 9.23695
361 1H5Q NAP 9.43396
362 5IN4 6CK 9.49555
363 5IN4 GDP 9.49555
364 5IN4 NAP 9.49555
365 5L4S 6KX 9.74843
366 5L4S NAP 9.74843
367 1D7O NAD 9.76431
368 1D7O TCL 9.76431
369 1YJQ NAP 9.90099
370 4YEE 4CQ 10
371 4URF NAD 10.0806
372 1N7G NDP 10.089
373 1N7G GDR 10.089
374 2YVJ NAI 10.0917
375 1LDN NAD 10.1266
376 4IXW IXW 10.2362
377 3JQ7 NAP 10.4167
378 3JQ7 DX2 10.4167
379 1OAA OAA 10.4247
380 2DTX BMA 10.6061
381 4CM9 NAP 10.7639
382 4CLR NAP 10.7639
383 3BMO NAP 10.7639
384 3BMQ NAP 10.7639
385 4CM8 NAP 10.7639
386 3JQG NAP 10.7639
387 4CMI NAP 10.7639
388 3JQF NAP 10.7639
389 4CM4 NAP 10.7639
390 3BMN NAP 10.7639
391 3JQA NAP 10.7639
392 3JQ9 NAP 10.7639
393 3JQB NAP 10.7639
394 4CME NAP 10.7639
395 4CLO NAP 10.7639
396 3JQ8 NAP 10.7639
397 3JQA DX4 10.7639
398 3JQF AX2 10.7639
399 4CLR FDB 10.7639
400 4CME KTZ 10.7639
401 3JQB DX6 10.7639
402 3JQ8 DX3 10.7639
403 3BMN AX3 10.7639
404 4CM9 YGL 10.7639
405 3CF6 SP1 10.7784
406 2I3G NAP 10.7955
407 5BSH PRO 10.8303
408 5NUF NAD 10.8434
409 1GEE NAD 11.1111
410 1RPN NDP 11.3433
411 1HYE NAP 11.5016
412 2VZ0 NAP 11.5672
413 2VZ0 D64 11.5672
414 2WD7 NAP 11.5672
415 5JWC FAD 11.5727
416 1EQ2 NAP 11.6129
417 2VUT NAD 11.6279
418 5XWV NDP 11.6935
419 5XWV 8H6 11.6935
420 2X6T NAP 11.7647
421 2EXX NAP 11.7647
422 3HB5 NAP 11.9266
423 3OJF IMJ 12.0623
424 3OJF NDP 12.0623
425 1XHL NDP 12.1212
426 1JAY NAP 12.2642
427 5EJ2 NAD 12.3377
428 4D42 NAP 12.4113
429 4D42 W0I 12.4113
430 1GY8 NAD 12.4629
431 5KQA GSH 12.8788
432 2FR1 NDP 13.0564
433 5C9P FUC 13.0564
434 1VL8 NAP 13.1086
435 1BXK NAD 13.3531
436 2VHW NAI 13.3531
437 2PD4 NAD 13.4545
438 2PD4 DCN 13.4545
439 1A27 NAP 13.4948
440 1KEW NAD 13.6499
441 1KEW TYD 13.6499
442 2HK9 ATR 13.8182
443 3B1J NAD 13.8643
444 3B20 NAD 13.8643
445 1OC2 NAD 14.2433
446 1OC2 TDX 14.2433
447 5NUE NAD 14.4578
448 1RKX NAD 14.5401
449 6F9Q NAD 14.7059
450 1R6D NAD 15.1335
451 1R6D DAU 15.1335
452 5ODQ FAD 15.4303
453 5K4W NAI 15.5763
454 5K4W THR 15.5763
455 1SB8 UD2 16.0237
456 1SB8 NAD 16.0237
457 1EK6 NAI 16.3205
458 1EK6 UPG 16.3205
459 2C5A NAD 16.3205
460 2C5A GDC 16.3205
461 2VOH CIT 16.5605
462 3LU1 NAD 16.6172
463 1N5D NDP 16.6667
464 5I7S E9P 16.6667
465 5I7S NAD 16.6667
466 5EIN NAP 16.6667
467 2GN4 NDP 17.2107
468 2GN4 UD1 17.2107
469 5MSO NAP 17.2107
470 4J1Q NDP 17.2107
471 1WVG APR 17.5074
472 1UDB UFG 17.8042
473 1UDB NAD 17.8042
474 5BJX NAD 18.1009
475 5BJX UDP 18.1009
476 2PZM UDP 18.1818
477 2PZM NAD 18.1818
478 3A4V PYR 18.2965
479 3A4V NAD 18.2965
480 1Z45 NAD 18.3976
481 5Y1G NAD 18.5976
482 5Y1G AKB 18.5976
483 3RFV NAI 19.1011
484 3RFV 15L 19.1011
485 3MMH SME 19.1617
486 3KO8 NAD 19.2308
487 4G5H UD7 19.5846
488 4G5H NAP 19.5846
489 1NNU NAD 20
490 1NNU TCT 20
491 1ORR NAD 20.178
492 3NUG NAD 20.6478
493 2Q46 NAP 21.3439
494 6BWL NAD 23.7805
495 6CI9 NAP 24.7104
496 1ZEM NAD 24.8092
497 5OOH 9ZZ 25.2427
498 5OOH NAP 25.2427
499 1GEG NAD 25.7812
500 3H4V DVP 26.3889
501 3H4V NAP 26.3889
502 4GLL NAD 28.7834
503 1FK8 NAD 30.7393
504 1I2B NAD 31.4356
505 1I2B USQ 31.4356
506 1I2B UPG 31.4356
507 4U7W NDP 31.454
508 6DNT NAD 31.454
509 1PR9 NAP 31.5574
510 3D3W NAP 31.5574
511 4ZRN NAD 32.6923
512 4ZRN UPG 32.6923
513 3ICC NAP 32.9412
514 2Q1W NAD 41.4414
515 1Y1P NMN AMP PO4 42.73
516 5ZEC NAP 47.7745
517 4PVD NDP 48.368
Pocket No.: 2; Query (leader) PDB : 4R1S; Ligand: NAP; Similar sites found with APoc: 18
This union binding pocket(no: 2) in the query (biounit: 4r1s.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5NDB 8TW 2
2 3TY3 GGG 2.37389
3 6F9G PUT 2.49221
4 3ITJ CIT 2.96736
5 3O7W SAM 3.06122
6 3B9Q MLI 3.31126
7 1K3A ACP 3.34448
8 2Q37 3AL 3.8674
9 2UVO NAG 4.09357
10 1SW1 PBE 4.36364
11 2CFI ZZZ 5.77508
12 5XHA FRU 6.52819
13 3L4N GSH 7.08661
14 5UN9 NHT 7.71513
15 4C01 QY9 9.21986
16 1FHX 4IP 10.8527
17 4TR1 GSH 11.9565
18 2P3I MNA 18.0124
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