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Receptor
PDB id Resolution Class Description Source Keywords
4DPL 1.9 Å EC: 1.2.1.75 STRUCTURE OF MALONYL-COENZYME A REDUCTASE FROM CRENARCHAEOTA COMPLEX WITH NADP SULFOLOBUS TOKODAII DINUCLEOTIDE BINDING DIMERIZATION DOMAIN REDUCTASE NADP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR A BISPECIFIC NADP+ AND COA BIN IN AN ARCHAEAL MALONYL-COENZYME A REDUCTASE. J.BIOL.CHEM. V. 288 6363 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP C:401;
A:401;
B:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
UNL B:402;
A:402;
D:402;
C:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
n/a NULL NULL
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DPL 1.9 Å EC: 1.2.1.75 STRUCTURE OF MALONYL-COENZYME A REDUCTASE FROM CRENARCHAEOTA COMPLEX WITH NADP SULFOLOBUS TOKODAII DINUCLEOTIDE BINDING DIMERIZATION DOMAIN REDUCTASE NADP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR A BISPECIFIC NADP+ AND COA BIN IN AN ARCHAEAL MALONYL-COENZYME A REDUCTASE. J.BIOL.CHEM. V. 288 6363 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DPL - 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 1 families.
1 4DPL - 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 4 families.
1 4DPL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1YS4 - 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 : 4DPL; Ligand: NAP; Similar sites found with APoc: 957
This union binding pocket(no: 1) in the query (biounit: 4dpl.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 4D3F NAP 0.967742
3 5F5N NAD 1.03806
4 5K0A FAD 1.21212
5 1YKJ FAD 1.39276
6 1YKJ PHB 1.39276
7 3UCL NAP 1.39276
8 4OPC PGT 1.39276
9 4OPC FDA 1.39276
10 3UCL FAD 1.39276
11 3UCL CYH 1.39276
12 1SB8 UD2 1.42045
13 1SB8 NAD 1.42045
14 1R37 NAD 1.44092
15 5YLF BGC 1.49701
16 2Q0L NAP 1.60772
17 2I6U CP 1.62866
18 1T26 NAI 1.67131
19 1T26 GBD 1.67131
20 1RYD NDP 1.67131
21 1M2W NAD 1.67131
22 1LJ8 NAD 1.67131
23 2YG3 FAD 1.67131
24 5I39 FAD 1.67131
25 3VSE SAH 1.67131
26 4MO2 FDA 1.67131
27 1N9G NAP 1.67131
28 4MO2 FAD 1.67131
29 4WAS NAP 1.67131
30 1UDB UFG 1.77515
31 1UDB NAD 1.77515
32 2A92 NAI 1.86916
33 1GUZ NAD 1.93548
34 1GV0 NAD 1.93548
35 4OM8 NAD 1.94175
36 3HAD NAD 1.94805
37 3ICT ADP 1.94986
38 2Z3Y F2N 1.94986
39 1KOL NAD 1.94986
40 3ICS ADP 1.94986
41 5HV7 RBL 1.94986
42 3AXB FAD 1.94986
43 3AXB PRO 1.94986
44 2B9W FAD 1.94986
45 6F3N ADN 1.94986
46 6F3N NAD 1.94986
47 6F3M NAD 1.94986
48 2RAB FAD 1.94986
49 3NYC IAR 1.94986
50 3NYC FAD 1.94986
51 2RAB NAD 1.94986
52 4EVQ PHB 1.94986
53 3ICT FAD 1.94986
54 4MIG G3F 1.94986
55 5TUK FAD 1.94986
56 3ICR FAD 1.94986
57 5KMS NAD 1.94986
58 6C4M NAP 1.94986
59 3ICS FAD 1.94986
60 1TI7 NAP 1.98864
61 3GFB NAD 2
62 1WPQ NAD 2.00573
63 5A96 GTP 2.00803
64 3H9E NAD 2.02312
65 5TWB FAD 2.03488
66 2YYY NAP 2.04082
67 3QJ4 FAD 2.04678
68 1EDO NAP 2.04918
69 3WLE NAD 2.05279
70 4XDY NAI 2.07101
71 4OHU 2TK 2.07612
72 4OHU NAD 2.07612
73 4LC1 GDP 2.07715
74 3FPZ AHZ 2.14724
75 1E7S NAP 2.18069
76 2PZE ATP 2.18341
77 1VM6 NAD 2.19298
78 1NYT NAP 2.21402
79 1LDN NAD 2.21519
80 2J5V PCA 2.22841
81 2O4C NAD 2.22841
82 1VKO NAD 2.22841
83 2VVM FAD 2.22841
84 2VVL FAD 2.22841
85 5OD2 GLC 2.22841
86 1PJS NAD 2.22841
87 2F6D ACR 2.22841
88 2Y65 ADP 2.22841
89 5GSN FAD 2.22841
90 5GSN NAP 2.22841
91 1WVG APR 2.22841
92 5GSN MMZ 2.22841
93 4D04 NAP 2.22841
94 4D04 FAD 2.22841
95 2GKS ADP 2.22841
96 3OZ2 FAD 2.22841
97 2GMH FAD 2.22841
98 1OSS BEN 2.24215
99 1VL8 NAP 2.24719
100 1H5Q NAP 2.26415
101 1DIG NAP 2.28758
102 1DIG L37 2.28758
103 1U7T TDT 2.29885
104 1U7T NAD 2.29885
105 1EK6 UPG 2.29885
106 1EK6 NAI 2.29885
107 3WGT FAD 2.30548
108 3WGT QSC 2.30548
109 1KNM LAT 2.30769
110 1E6W NAD 2.30769
111 1OAA OAA 2.3166
112 3IB1 IMN 2.31884
113 2GN4 NDP 2.32558
114 2GN4 UD1 2.32558
115 1RRC ADP 2.32558
116 3E1T FAD 2.34375
117 5YSS NAD 2.34375
118 5W3K NDP 2.35294
119 5W3K 9TY 2.35294
120 5DOZ NDP 2.36686
121 6ER9 FAD 2.36794
122 6ER9 NAP 2.36794
123 1XSE NDP 2.37288
124 4GLL NAD 2.37389
125 1H5R G1P 2.38908
126 3LZW FAD 2.40964
127 3LZW NAP 2.40964
128 1D1T NAD 2.41287
129 3JQA NAP 2.43056
130 4CM8 NAP 2.43056
131 3JQ7 NAP 2.43056
132 5K6A NAP 2.43056
133 5JDI NAP 2.43056
134 4CM4 NAP 2.43056
135 4CLR NAP 2.43056
136 3BMO NAP 2.43056
137 3BMN NAP 2.43056
138 3JQF NAP 2.43056
139 5JCJ NAP 2.43056
140 3JQ9 NAP 2.43056
141 3JQB NAP 2.43056
142 5JDC NAP 2.43056
143 3BMQ NAP 2.43056
144 3JQG NAP 2.43056
145 4CMI NAP 2.43056
146 4CM9 NAP 2.43056
147 3JQ8 NAP 2.43056
148 1SOW NAD 2.43902
149 1Q7B NAP 2.45902
150 4KP7 NAP 2.50696
151 4KP7 1UQ 2.50696
152 1ZQ9 SAM 2.50696
153 1GR0 NAD 2.50696
154 5MBX FAD 2.50696
155 5MBX SP5 2.50696
156 5TTJ FAD 2.50696
157 3OJO NAD 2.50696
158 1RSG FAD 2.50696
159 3WQQ NDP 2.50696
160 3WQQ IB3 2.50696
161 5U8U FAD 2.50696
162 3SQP FAD 2.50696
163 3OND NAD 2.50696
164 3OND ADN 2.50696
165 2NPX NAD 2.50696
166 2IVD FAD 2.50696
167 2NPX FAD 2.50696
168 1QO8 FAD 2.50696
169 3UOY FAD 2.50696
170 3UOY NAP 2.50696
171 5HSS 64Z 2.50696
172 4JUI EGR 2.50696
173 5LD5 NAD 2.51397
174 2BGM NAJ 2.51799
175 1WMA NDP 2.53623
176 1WMA AB3 2.53623
177 5O42 9JW 2.55474
178 5O42 BGC 2.55474
179 5O42 NAD 2.55474
180 5WQP NAP 2.5641
181 3RC1 NAP 2.57143
182 3RC1 TLO 2.57143
183 3ZNN 4WL 2.59366
184 3ZNN FAD 2.59366
185 5A1T NAI 2.6393
186 5A1T OXM 2.6393
187 3L9W AMP 2.66344
188 2C29 NAP 2.67062
189 2C29 DQH 2.67062
190 4B7X NAP 2.67857
191 4XB2 NDP 2.68657
192 4XB2 HSE 2.68657
193 5ZI9 FLC 2.69231
194 1H74 ILE 2.7027
195 2GCG NDP 2.72727
196 4XQC 13D 2.73684
197 4XQC NAD 2.73684
198 4J7U YTZ 2.77778
199 4J7U NAP 2.77778
200 2GSD NAD 2.78552
201 2QRK AMP 2.78552
202 2FZW NAD 2.78552
203 1RM0 D6P 2.78552
204 1H2B NAJ 2.78552
205 1RM0 NAI 2.78552
206 1H6C NDP 2.78552
207 1H6C SIN 2.78552
208 4G5H NAP 2.78552
209 4G5H UD7 2.78552
210 5ZYN FAD 2.78552
211 2CDC XYP 2.78552
212 5YB7 ORN 2.78552
213 5YB7 FAD 2.78552
214 2CDC XYS 2.78552
215 2CDC NAP 2.78552
216 1LVL NAD 2.78552
217 4EMI NAD 2.78552
218 2HQM FAD 2.78552
219 4AG5 ADP 2.78552
220 2AWN ADP 2.78552
221 5Z2L NDP 2.78552
222 2R4J 13P 2.78552
223 2R4J FAD 2.78552
224 4N4J HG1 2.78552
225 1XHC FAD 2.78552
226 3LAD FAD 2.78552
227 1ZK4 NAP 2.78884
228 1Z6Z NAP 2.83688
229 1XKQ NDP 2.85714
230 2BD0 NAP 2.86885
231 3TWO NDP 2.87356
232 5GWT NAD 2.8777
233 5GWT SIN 2.8777
234 2FR1 NDP 2.88066
235 2OBM ADP 2.88184
236 2DFV NAD 2.88184
237 5YU3 NAD 2.90698
238 5YU3 PRO 2.90698
239 1LLU NAD 2.92398
240 5DP2 NAP 2.92398
241 3B1J NAD 2.94985
242 3B20 NAD 2.94985
243 5T9F TYR 2.95203
244 5T9F NAP 2.95203
245 5T9E NAP 2.95203
246 5D4V SAH 2.98507
247 3MMH SME 2.99401
248 2GDZ NAD 2.99625
249 5OVL NAP 3
250 9LDT NAD 3.01205
251 9LDB NAD 3.01205
252 4OSP NAP 3.04183
253 5U5G NAP 3.05085
254 3RKR NAP 3.05344
255 4YCA NDP 3.06122
256 3A06 NDP 3.06407
257 3A06 FOM 3.06407
258 1E5Q NDP 3.06407
259 2CDU ADP 3.06407
260 6EL3 NAP 3.06407
261 5DF1 58X 3.06407
262 5DF1 NAP 3.06407
263 1WDK NAD 3.06407
264 1MO9 FAD 3.06407
265 1MO9 KPC 3.06407
266 2IXB NAD 3.06407
267 2CVQ NDP 3.06407
268 1V59 FAD 3.06407
269 5M67 3D1 3.06407
270 1I2B NAD 3.06407
271 1I2B USQ 3.06407
272 1I2B UPG 3.06407
273 3T31 DCQ 3.06407
274 3T31 FAD 3.06407
275 1V59 NAD 3.06407
276 5G3U FDA 3.06407
277 2ZXI FAD 3.06407
278 3AYI HCI 3.06407
279 3AYI FAD 3.06407
280 5M67 NAD 3.06407
281 5M67 ADE 3.06407
282 4RPL 3UC 3.06407
283 4RPL FAD 3.06407
284 4MOP 2H5 3.06407
285 5G3U ITW 3.06407
286 1KJ8 GAR 3.06407
287 5NMX NAP 3.06407
288 5NMX FAD 3.06407
289 2VTD LKM 3.06407
290 2IXB A2G 3.06407
291 5ZXD ATP 3.06407
292 4J36 1HR 3.06407
293 1GTE FAD 3.06407
294 4J36 FAD 3.06407
295 1WDK N8E 3.06407
296 1E3W NAD 3.06513
297 1JJ7 ADP 3.07692
298 3H8V ATP 3.08219
299 5J60 FAD 3.125
300 5OVK NDP 3.125
301 2Q2V NAD 3.13725
302 4FN4 NAD 3.14961
303 1TDF NAP 3.16456
304 1TDF FAD 3.16456
305 5JCA NDP 3.16901
306 5JCA FAD 3.16901
307 1ORR NAD 3.17003
308 6A3J SOE 3.17073
309 6A3J NAI 3.17073
310 5ZEC NAP 3.21637
311 1HYH NAD 3.23625
312 5EES NAP 3.23887
313 1UZN NAP 3.23887
314 3VYW SAM 3.24675
315 4M6T SAM 3.27869
316 3KB6 NAD 3.29341
317 1DRV A3D 3.2967
318 5THQ NDP 3.30882
319 1W8D NAP 3.31126
320 1W6U NAP 3.31126
321 1W73 NAP 3.31126
322 5NUE NAD 3.31325
323 5NUF NAD 3.31325
324 2DT5 NAD 3.31754
325 5VKT NAP 3.34262
326 2CVZ NDP 3.34262
327 6C4N NAP 3.34262
328 1WP4 NDP 3.34262
329 4HXY NDP 3.34262
330 5XWV NDP 3.34262
331 3ULK NDP 3.34262
332 3NJ4 AFX 3.34262
333 3NJ4 NAD 3.34262
334 4XDZ NDP 3.34262
335 1OFL NGK GCD 3.34262
336 5MSO NAP 3.34262
337 5E4R NAP 3.34262
338 2WPF WPF 3.34262
339 5TS5 FAD 3.34262
340 5XWV 8H6 3.34262
341 2WPF FAD 3.34262
342 3CTY FAD 3.34262
343 4EUE NAI 3.34262
344 4OJP MAL 3.34262
345 4U7W NDP 3.34262
346 1E1M FAD 3.34262
347 1E1M NAP 3.34262
348 4EDF UPG 3.34262
349 3IHG FAD 3.34262
350 2QA1 FAD 3.34262
351 5EJ2 NAD 3.34262
352 2BRY FAD 3.34262
353 4ITU NAI 3.34572
354 4ITU 1HS 3.34572
355 2WD7 NAP 3.35821
356 2VZ0 NAP 3.35821
357 2VZ0 D64 3.35821
358 4YAC NAI 3.367
359 1SNY NAP 3.37079
360 5Z2F NAP 3.39623
361 5OOH 9ZZ 3.39806
362 5OOH NAP 3.39806
363 3ENV ABF 3.40426
364 4KWI NAP 3.42205
365 4KWI 1TJ 3.42205
366 5K4W THR 3.42679
367 5K4W NAI 3.42679
368 1NFQ NAI 3.46154
369 3AJ6 NGA 3.4965
370 1QKQ MAN 3.52113
371 1YQD NAP 3.55191
372 1J5P NAD 3.55731
373 5AYV KPL 3.55987
374 5AYV NAP 3.55987
375 5U5N NAD 3.58423
376 4MDH NAD 3.59281
377 2CFC NAD 3.6
378 5MDH NAD 3.6036
379 1V6A TRE 3.61446
380 4XYB NDP 3.62117
381 1P0F NAP 3.62117
382 5DN9 NAD 3.62117
383 1U1I NAD 3.62117
384 2JB2 PHE 3.62117
385 5FJN BE2 3.62117
386 5FJN FAD 3.62117
387 2JB2 FAD 3.62117
388 1YKF NAP 3.62117
389 1KEV NDP 3.62117
390 1X7D ORN 3.62117
391 1D4D FAD 3.62117
392 1X7D NAD 3.62117
393 2XVE FAD 3.62117
394 2XVF FAD 3.62117
395 4J1Q NDP 3.62117
396 1GET NAP 3.62117
397 3VSV XYS 3.62117
398 1GET FAD 3.62117
399 2RGJ FAD 3.62117
400 5BUK FAD 3.62117
401 1UP7 NAD 3.62117
402 4YKG NAD 3.62117
403 4YKG FAD 3.62117
404 3NGL NAP 3.62319
405 6GAS FAD 3.62538
406 3WMX NAD 3.63128
407 1B8U NAD 3.64742
408 2HJR APR 3.65854
409 1C3V NDP 3.67347
410 3Q3C NAD 3.67893
411 1PR9 NAP 3.68852
412 3D3W NAP 3.68852
413 4Q9N NAI 3.69128
414 4TSK NDP 3.71429
415 1LC3 NAD 3.7415
416 4JJF N2I 3.77907
417 4JJF FE9 3.77907
418 5GT9 NAP 3.80228
419 1B0U ATP 3.81679
420 1X1T NAD 3.84615
421 1R6D NAD 3.85757
422 1R6D DAU 3.85757
423 5AOV NAP 3.86905
424 3A28 NAD 3.87597
425 1G0N PHH 3.88693
426 1G0N NDP 3.88693
427 2DBZ NAP 3.89222
428 3ABI NAD 3.89972
429 5MLR GRQ 3.89972
430 5MLR NAP 3.89972
431 2JL1 NAP 3.89972
432 3VZS NAP 3.89972
433 4A0S NAP 3.89972
434 1GZ4 ATP 3.89972
435 6AM8 TRP 3.89972
436 1E3I CXF 3.89972
437 1REO FAD 3.89972
438 2IID FAD 3.89972
439 2IID PHE 3.89972
440 3VZS CAA 3.89972
441 1Q9I TEO 3.89972
442 1Q9I FAD 3.89972
443 3HDY FAD 3.89972
444 1F8F NAD 3.89972
445 2E5V FAD 3.89972
446 3HDY GDU 3.89972
447 3HDY FDA 3.89972
448 6EGU 43Y 3.89972
449 2EWM NAD 3.89972
450 2WET FAD 3.89972
451 1PL6 572 3.89972
452 1PL6 NAD 3.89972
453 5J7X FAD 3.89972
454 1UI0 URA 3.90244
455 2DM6 IMN 3.9039
456 4OH4 ANP 3.9039
457 2DM6 NAP 3.9039
458 2P3V SRT 3.90625
459 4XYM COA 3.91304
460 4XZ3 COA 3.91304
461 4ZVV GN0 3.91566
462 4ZVV NAD 3.91566
463 2YVF NAD 3.92157
464 2YVF FAD 3.92157
465 1PZG A3D 3.92749
466 2WSB NAD 3.93701
467 2PZM NAD 3.93939
468 2PZM UDP 3.93939
469 5Y1G AKB 3.96341
470 5Y1G NAD 3.96341
471 2RH4 EMO 3.97112
472 5O9F NAD 3.97727
473 5O9F 9ON 3.97727
474 2B4Q NAP 3.98551
475 1KYQ NAD 4.0146
476 4W6Z 8ID 4.03458
477 2PK3 A2R 4.04984
478 1EZ4 NAD 4.08805
479 1O8B ABF 4.10959
480 4UP3 NDP 4.14013
481 4BLW AMP 4.15225
482 1N5D NDP 4.16667
483 4K7O EKZ 4.16667
484 3FWN ATR 4.16667
485 1DLJ NAI 4.17827
486 1DLJ UGA 4.17827
487 4RQU NAD 4.17827
488 4TVD BGC 4.17827
489 1YY5 FAD 4.17827
490 5IN4 GDP 4.17827
491 5IN4 6CK 4.17827
492 5IN4 NAP 4.17827
493 1QMG APX 4.17827
494 1GQ2 NAP 4.17827
495 1I8T FAD 4.17827
496 4FMS BDP 4.17827
497 4ZM4 PLP 4.17827
498 6EXS C3H 4.17827
499 1LUA NAP 4.18118
500 3DJF BC3 4.18118
501 5WUW NAP 4.18118
502 1RKX NAD 4.20168
503 2ZB4 5OP 4.20168
504 2ZB4 NAP 4.20168
505 6BXL SAM 4.2328
506 1LDM NAD 4.25532
507 4Y9D NAI 4.2623
508 5MIT FAD 4.28135
509 5MIT NAP 4.28135
510 4KQW NAP 4.28571
511 3WXB NDP 4.30108
512 1QH9 LAC 4.31034
513 2CUL FAD 4.31034
514 1VI2 NAD 4.33333
515 5Z20 NAI 4.34783
516 1KGZ PRP 4.34783
517 2PV7 NAD 4.36242
518 3R51 MMA 4.375
519 1XHL NDP 4.3771
520 2QZZ NAP 4.40252
521 2QZZ EMF 4.40252
522 1UJ5 5RP 4.40529
523 1SC6 NAD 4.45682
524 5H81 NAP 4.45682
525 4FWE FAD 4.45682
526 3CMC NAD 4.45682
527 3S5W NAP 4.45682
528 5OJI ISN 4.45682
529 1H9A NAP 4.45682
530 4R1S NAP 4.45682
531 5YAP NAI 4.45682
532 1BZL GCG 4.45682
533 5BRT FAD 4.45682
534 5BRT CH9 4.45682
535 1BZL FAD 4.45682
536 1FEC FAD 4.45682
537 5JAQ NAI 4.45682
538 5YAP 8S0 4.45682
539 5OJI NAP 4.45682
540 3S5W FAD 4.45682
541 3DAG FEG 4.46927
542 1Z82 NDP 4.47761
543 4WZ6 ATP 4.48276
544 5X20 NAD 4.48718
545 6CEP NAD 4.49102
546 6CEP OXM 4.49102
547 4KOA NDP 4.5045
548 4CQM NAP 4.5082
549 1NPD NAD 4.51389
550 1ZEM NAD 4.58015
551 6GAR FAD 4.58453
552 1ZBQ NAD 4.58716
553 1O6Z NAD 4.62046
554 4J4H NAI 4.6332
555 4J4H 1J1 4.6332
556 4JK3 NAD 4.6332
557 5ZI2 NAD 4.63768
558 5ZI2 ADP 4.63768
559 4QBK 3NZ 4.63918
560 1OMO NAD 4.65839
561 3SJU NDP 4.6595
562 1A5Z NAD 4.70219
563 5A04 NDP 4.71976
564 5A04 BGC 4.71976
565 5CAE SIN 4.73538
566 4JBI NDP 4.73538
567 5CAE COA 4.73538
568 3CIF NAD 4.73538
569 4IV9 FAD 4.73538
570 3CGD FAD 4.73538
571 3CGD COA 4.73538
572 3CGB FAD 4.73538
573 3NTA FAD 4.73538
574 5BN3 ADP 4.73538
575 5VN0 NAI 4.73538
576 3CGD NAD 4.73538
577 4CP8 MLI 4.73538
578 3CIF G3H 4.73538
579 3AB1 FAD 4.73538
580 5KSP GDP 4.73684
581 5TC4 NAD 4.74684
582 3SJ7 NDP 4.7619
583 2B5W NAP 4.7619
584 3ORF NAD 4.78088
585 6BII NAP 4.8048
586 5KKA 6V0 4.80769
587 3B1F NAD 4.82759
588 4QED NAP 4.83871
589 1UXG FUM 4.85437
590 1UXG NAD 4.85437
591 2JAP NDP 4.8583
592 2JAH NDP 4.8583
593 4G9N NGA 4.8951
594 6A4R ASP 4.90566
595 2Q7V FAD 4.92308
596 2DTX BMA 4.92424
597 1I36 NAP 4.92424
598 1YJQ NAP 4.9505
599 1F06 NDP 5
600 1F06 2NP 5
601 5B4T NAD 5
602 5B4T 3HR 5
603 2IZ1 ATR 5.01393
604 1U3U BNF 5.01393
605 1U3U NAD 5.01393
606 1F8G NAD 5.01393
607 1ZK7 FAD 5.01393
608 1YQZ FAD 5.01393
609 1JA9 NDP 5.01393
610 4XFM THE 5.01393
611 4CNK FAD 5.01393
612 2D2I NAP 5.01393
613 4CJX NAP 5.01567
614 3OA2 NAD 5.03145
615 1RM4 NDP 5.04451
616 4L8V NAP 5.04451
617 5F1V 3VN 5.05051
618 3AD8 NAD 5.05051
619 5BSH PRO 5.05415
620 5JY6 NAD 5.05618
621 4GKV NAD 5.05952
622 1DSS NAD 5.1051
623 1HDG NAD 5.12048
624 4R98 GNH 5.16605
625 3HB5 NAP 5.19878
626 5T2U NAP 5.24194
627 1KEW NAD 5.26316
628 1KEW TYD 5.26316
629 5UAV NDP 5.2795
630 5UAV TFB 5.2795
631 2AG5 NAD 5.28455
632 4OOE NDP 5.29248
633 4OOE FOM 5.29248
634 1DJN ADP 5.29248
635 5BVA FAD 5.29248
636 3LU1 NAD 5.29248
637 5EPO NAP 5.29248
638 3NKS FAD 5.29248
639 1T9D P22 5.29248
640 5Z21 NAI 5.30726
641 5FI3 NAP 5.32213
642 3ZV6 NAD 5.33808
643 3ZV6 4HB 5.33808
644 3A4V NAD 5.36278
645 3A4V PYR 5.36278
646 1GEE NAD 5.36398
647 4M52 FAD 5.36481
648 4M52 M52 5.36481
649 2A8X FAD 5.38793
650 2AHR NAP 5.40541
651 5Y8L NAD 5.42373
652 5Y8L HUI 5.42373
653 1MXH DHF 5.43478
654 1MXH NAP 5.43478
655 4PLT NAI 5.43807
656 4PLT OXM 5.43807
657 3I6I NDP 5.49133
658 5Z75 NAD 5.50459
659 3K7M FAD 5.56845
660 1Q0H NDP 5.57103
661 1Q0H FOM 5.57103
662 2OOR NAD 5.57103
663 4U8P FDA 5.57103
664 4U8P UDP 5.57103
665 1PS9 FAD 5.57103
666 4UP4 NDG 5.57103
667 4UP4 GAL NAG 5.57103
668 6C4T NA7 5.57103
669 1PS9 NAP 5.57103
670 3NTD FAD 5.57103
671 5N2I NAP 5.60345
672 3ITJ CIT 5.6213
673 1O94 ADP 5.625
674 3V1Y NAD 5.63798
675 1YB5 NAP 5.69801
676 6A0S HSE 5.72289
677 6A0S NDP 5.72289
678 1CER NAD 5.74018
679 6GR0 F8W 5.74713
680 1BDB NAD 5.77617
681 2NAD NAD 5.84958
682 4AP3 NAP 5.84958
683 4AP3 FAD 5.84958
684 1PN0 IPH 5.84958
685 1PN0 FAD 5.84958
686 4K26 NDP 5.84958
687 4K26 SFF 5.84958
688 1RPN NDP 5.84958
689 3ETG NDP 5.84958
690 3ETG GLU 5.84958
691 3ETG GTP 5.84958
692 4YSX FAD 5.85106
693 2WJG GDP 5.85106
694 2EXX NAP 5.88235
695 1A27 NAP 5.88235
696 1BXK NAD 5.91549
697 5G4L NDP 5.94406
698 3L4S NAD 5.95238
699 3L4S 3PG 5.95238
700 1RP0 AHZ 5.98592
701 5N6C NAD 6
702 1O5I NAD 6.0241
703 4MN7 SME 6.04027
704 4URF NAD 6.04839
705 2JHF NAD 6.12813
706 1Y1P NMN AMP PO4 6.12813
707 4YRY FAD 6.12813
708 5O98 NAP 6.12813
709 6H45 QEI 6.12813
710 3M89 GSP 6.12813
711 4YRY NAD 6.12813
712 4ZGR NGA GAL 6.13027
713 1EBF NAD 6.14525
714 5GUD NDP 6.15711
715 6CI9 NAP 6.17761
716 6CI9 F3V 6.17761
717 2DTJ THR 6.17978
718 3AB4 THR 6.17978
719 1NVT NAP 6.27178
720 3AY6 NAI 6.3197
721 3AY6 BGC 6.3197
722 4IDC NDP 6.3253
723 4IDC 1XX 6.3253
724 1HYE NAP 6.38978
725 2NU8 COA 6.40669
726 1O0S NAI 6.40669
727 4JDR FAD 6.40669
728 3GF4 UPG 6.40669
729 4DSG UDP 6.40669
730 4DSG FAD 6.40669
731 1PGP 6PG 6.40669
732 3GF4 FAD 6.40669
733 4Z24 FAD 6.40669
734 5GZ6 NDP 6.44172
735 5GZ6 7C3 6.44172
736 2AG8 NAP 6.46388
737 2EV9 NAP 6.46388
738 2EV9 SKM 6.46388
739 1VL0 NAI 6.50685
740 1QG6 TCL 6.51341
741 1QG6 NAD 6.51341
742 1CF2 NAP 6.52819
743 2AE2 PTO 6.53846
744 2AE2 NAP 6.53846
745 4ZCC FAD 6.54762
746 4ZCC NAI 6.54762
747 4P86 5GP 6.55738
748 3AFN NAP 6.58915
749 5L4S NAP 6.60377
750 5L4S 6KX 6.60377
751 3TN7 NJP 6.61479
752 2DKN NAI 6.66667
753 3C7A NAD 6.68317
754 1SAY PYR 6.68524
755 3K5I AIR 6.68524
756 5J5Z FAD 6.68524
757 1RYI GOA 6.68524
758 3V1U NAD 6.68524
759 1RYI FAD 6.68524
760 5MUA GAL 6.68524
761 5M45 AMP 6.68524
762 4ZRN NAD 6.73077
763 3O26 NDP 6.75241
764 3MD0 GDP 6.76056
765 5L53 NAP 6.79012
766 1XG5 NAP 6.81004
767 4PLG OXM 6.88623
768 4PLG NAI 6.88623
769 2VHW NAI 6.89655
770 5L4L NAP 6.90789
771 2V6G NAP 6.96379
772 1N1G BCP 6.96379
773 5MZI FYK 6.96379
774 5MZI FAD 6.96379
775 4YT4 FE9 6.96379
776 5Y77 FAD 6.96379
777 3CH6 NAP 6.99301
778 3CH6 311 6.99301
779 3RHC GSH 7.07965
780 3IID APR 7.109
781 1GZ6 NAI 7.21003
782 5BJX NAD 7.24234
783 5BJX UDP 7.24234
784 4D79 ATP 7.24638
785 1BW9 NAD 7.30337
786 1BXG NAD 7.30337
787 1M0S CIT 7.30594
788 1C1X NAD 7.32394
789 4MP8 NAD 7.37463
790 4MP8 MLI 7.37463
791 1FK8 NAD 7.393
792 1LK7 DER 7.42358
793 4TQG NDP 7.43034
794 4URS C2E 7.44681
795 1M26 GAL A2G 7.5188
796 1ZH8 NAP 7.52089
797 1V8B NAD 7.52089
798 3O03 NAP 7.52089
799 4NBW NAD 7.52089
800 3DRW AMP 7.52089
801 1JAY NAP 7.54717
802 2VYN NAD 7.55287
803 1GAD NAD 7.57576
804 4NBU NAI 7.6
805 4PVD NDP 7.60234
806 2GAG NAD 7.61905
807 2ZQO NGA 7.69231
808 2YY7 NAD 7.69231
809 3VPH NAD 7.74194
810 3VPH OXM 7.74194
811 4E13 NAD 7.79944
812 3X0V FAD 7.79944
813 5KVS NAP 7.79944
814 2B4R NAD 7.82609
815 2B4R AES 7.82609
816 2GLX NDP 7.83133
817 5OCM NAP 7.90378
818 2DUR MAN MAN 7.90514
819 1JNR FAD 8
820 4ZGS NAD 8.07799
821 2ZJ1 ARJ 8.07799
822 1CDO NAD 8.07799
823 2ZJ1 NAD 8.07799
824 5TUF FAD 8.07799
825 5TUF TDC 8.07799
826 3OID NDP 8.13953
827 4D42 W0I 8.15603
828 4D42 NAP 8.15603
829 5XVH NAP 8.16993
830 2F1K NAP 8.24373
831 5JE8 NAD 8.27815
832 3O9Z AKG 8.33333
833 3O9Z NAD 8.33333
834 4PIV NDP 8.35655
835 4URG C2E 8.38323
836 1P0Z FLC 8.39695
837 2D2F ADP 8.4
838 1RL4 BRR 8.51064
839 5X9D 80F 8.55263
840 1J49 NAD 8.6351
841 1N7G NDP 8.6351
842 1N7G GDR 8.6351
843 5JWC FAD 8.6351
844 3RJ5 NAD 8.66142
845 3H4V NAP 8.68056
846 3H4V DVP 8.68056
847 4Z0H NAD 8.68263
848 3NBC LAT 8.78378
849 3WBF NAP 8.85246
850 3WBF API 8.85246
851 4GUS FAD 8.87097
852 4HSU FAD 8.87097
853 4GUT FAD 8.87097
854 4BVA NDP 8.95522
855 4BVA T3 8.95522
856 1J0X NAD 9.03614
857 1LTH NAD 9.09091
858 1AE1 NAP 9.15751
859 4REP FAD 9.1922
860 2Q1W NAD 9.30931
861 2F5Z FAD 9.375
862 3U4C NDP 9.60854
863 1FWV SGA MAG FUC 9.70149
864 2VT3 ATP 9.76744
865 1OC2 NAD 9.77011
866 1OC2 TDX 9.77011
867 2Q46 NAP 9.88142
868 4R5M 4NO 10.0279
869 1TB4 PEJ 10.0279
870 4R5M NAP 10.0279
871 4E5N NAD 10.0279
872 6AA8 NAD 10.0279
873 2YVJ NAI 10.0917
874 3WV8 ATP 10.0917
875 3Q72 GNP 10.241
876 1HDR NAD 10.2459
877 3C1O NAP 10.2804
878 3GGO ENO 10.3064
879 3GGO NAI 10.3064
880 2C7G FAD 10.3064
881 2C7G ODP 10.3064
882 1IY8 NAD 10.4869
883 4RJD TFP 10.6061
884 3F6R FMN 10.8108
885 6MJ7 ARG 10.9091
886 3QV1 NAD 10.9756
887 3ICC NAP 10.9804
888 1Y75 NAG 11.0169
889 4YAG NAI 11.0727
890 5OJL TXP 11.0738
891 5NA1 FAD 11.1421
892 5UR0 NAD 11.1748
893 5FUI APY 11.3636
894 5N0J FAD 11.396
895 1MUU NAD 11.4206
896 1MV8 NAD 11.4206
897 2ZAT NAP 11.5385
898 4OWK NGA 11.5942
899 3RFV NAI 11.6105
900 3RFV 15L 11.6105
901 3IWD M2T 11.7647
902 3A23 GAL 11.9777
903 2HK9 ATR 12
904 2HK9 NAP 12
905 4O0L NDP 12
906 5ZZ6 NAD 12.0192
907 5ZZ6 ADP 12.0192
908 5YEC ATP 12.0588
909 6DNT NAD 12.2093
910 4TR1 GSH 13.0435
911 1H82 FAD 13.0919
912 1H82 GZZ 13.0919
913 4XFR CIT 13.0919
914 2G5C NAD 13.1673
915 3BAZ NAP 13.2132
916 1AG9 FMN 13.7143
917 2DT9 THR 13.7725
918 2HMT NAI 13.8889
919 1GEG NAD 14.0625
920 1E6E FAD 14.0625
921 4GLW NMN 14.0984
922 2I3G NAP 14.2045
923 1VL1 CIT 14.2241
924 3QWI NAP 14.4444
925 3QWI CUE 14.4444
926 5TOW ADN 14.4847
927 5TOW NAI 14.4847
928 1WAP TRP 14.6667
929 5EIN NAP 14.8256
930 1QAW TRP 14.8649
931 5MVR ADP 15.4321
932 6F9Q NAD 15.4412
933 2X7I CIT 15.5844
934 5FII PHE 15.6863
935 5FEU NAP 15.8076
936 2BKA NDP 16.5289
937 2PNZ 5GP 16.8675
938 3ZZQ TRP 16.9231
939 4NBT NAD 17.0833
940 1LSS NAD 17.1429
941 4RF2 NAP 17.2794
942 5OM2 DXT 17.5
943 5FFF NAP 17.8988
944 5FFF 5XC 17.8988
945 5ODQ FAD 18.0602
946 1P77 ATR 18.3824
947 1HKU NAD 19.5531
948 5I7S E9P 19.5652
949 5I7S NAD 19.5652
950 2VUT NAD 20.9302
951 2DC1 NAD 21.1864
952 5KQA GSH 23.4848
953 1NVM NAD 25.3205
954 5L95 AMP 26.25
955 3RNM FAD 27.5862
956 2R00 OEG 42.0613
957 2GZ3 NAP 43.7326
Pocket No.: 2; Query (leader) PDB : 4DPL; Ligand: NAP; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 4dpl.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4JLV ADP 1.48699
2 3PA8 621 1.9685
3 1C3X 8IG 2.25564
4 3G2Y GF4 2.28137
5 1ZK4 AC0 2.78884
6 3BRE C2E 2.7933
7 3CF6 SP1 3.34262
8 2OG2 MLI 3.89972
9 5T96 79J 4.09357
10 3I9U DTU 4.18251
11 3G5N PB2 4.45682
12 3NT6 FAD 4.73538
13 1UWK URO 5.01393
14 1UWK NAD 5.01393
15 5WKC TP9 5.29248
16 5GUD 2IT 6.15711
17 3OIG NAD 6.39098
18 4ZA2 NAD 7.11462
19 3O5N BR0 7.14286
20 4GAH 0ET 7.17703
21 4B4U NAP 7.26073
22 2DPY ADP 8.07799
23 1T0S BML 10.585
24 1XTT U5P 16.2037
Pocket No.: 3; Query (leader) PDB : 4DPL; Ligand: NAP; Similar sites found with APoc: 53
This union binding pocket(no: 3) in the query (biounit: 4dpl.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1K3T BRZ 1.39276
2 1SZ2 BGC 1.50602
3 5WGR FAD 1.67131
4 1KNR FAD 1.67131
5 4WAS COO 1.67131
6 1OXV ANP 1.69972
7 1C0I FAD 1.94986
8 1C0I BE2 1.94986
9 4TXI FAD 1.94986
10 2XT3 ADP 2.03488
11 6BWL NAD 2.13415
12 2NVK FAD 2.22841
13 4TM3 FAD 2.50696
14 5TDC NMM ILE PHE SER 2.63158
15 6F97 FAD 2.78552
16 1VQW FAD 2.78552
17 3NUG NAD 2.83401
18 5FYR INS 3.02013
19 4Y1B NAP 3.29412
20 3I6B KDO 3.33333
21 3LN9 FLC 3.59712
22 3QWB NDP 3.89222
23 3NFD COA 3.92157
24 4D7E FAD 4.17827
25 5KUT GDP 4.2328
26 4X9M FAD 4.45682
27 5LXB 7A9 4.54545
28 4WCX MET 4.73538
29 3F8D FAD 4.73538
30 2EFX NFA 5.01393
31 2NV2 GLN 5.10204
32 5O96 SAM 5.30612
33 4IF4 BEF 5.76923
34 3KO8 NAD 5.76923
35 1SBR VIB 6
36 2HT6 GDP 6.32184
37 1GY8 NAD 6.40669
38 4ZRN UPG 6.73077
39 3UIM ANP 7.97546
40 5W7B MYR 8.07799
41 6F7L FAD 8.07799
42 3JYN NDP 8.30769
43 5G6U TRP 8.42912
44 2ZWS PLM 8.6351
45 2EW5 Y12 9.39227
46 2V7Q ADP 9.58904
47 3WY9 GDP 9.7493
48 3WYA GDP 9.7493
49 2Q1S NAI 10.585
50 1MUU SUC 11.4206
51 4AU8 Z3R 13.1757
52 1Z45 NAD 16.4345
53 3ZZS TRP 16.9231
Pocket No.: 4; Query (leader) PDB : 4DPL; Ligand: NAP; Similar sites found with APoc: 36
This union binding pocket(no: 4) in the query (biounit: 4dpl.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 3FGZ BEF 0.557103
2 5UAO FAD 1.39276
3 2D24 XYS XYS 1.67131
4 5JCM NAD 2.22841
5 5JCM FAD 2.22841
6 5JCM ISD 2.22841
7 5X68 FAD 2.22841
8 4OUJ LBT 2.28013
9 4AVV CD 2.45098
10 4AVV GHE 2.45098
11 5D63 FUC GAL GLA 2.73038
12 3LXD FAD 2.78552
13 2GVC FAD