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Receptor
PDB id Resolution Class Description Source Keywords
4L8V 2.09 Å EC: 1.1.1.18 CRYSTAL STRUCTURE OF A12K/D35S MUTANT MYO-INOSITOL DEHYDROGE BACILLUS SUBTILIS WITH BOUND COFACTOR NADP BACILLUS SUBTILIS SUBSP. SUBTILIS COFACTOR BINDING SITES CATALYSIS HYDROGEN BONDING INOSITKINETICS SUGAR ALCOHOL DEHYDROGENASE ROSSMANN FOLD NADP OXIDOREDUCTASE
Ref.: CONVERTING NAD-SPECIFIC INOSITOL DEHYDROGENASE TO A EFFICIENT NADP-SELECTIVE CATALYST, WITH A SURPRISIN BIOCHEMISTRY V. 52 5876 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP C:401;
A:401;
D:401;
B:400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
EDO D:402;
A:402;
C:403;
C:402;
A:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L8V 2.09 Å EC: 1.1.1.18 CRYSTAL STRUCTURE OF A12K/D35S MUTANT MYO-INOSITOL DEHYDROGE BACILLUS SUBTILIS WITH BOUND COFACTOR NADP BACILLUS SUBTILIS SUBSP. SUBTILIS COFACTOR BINDING SITES CATALYSIS HYDROGEN BONDING INOSITKINETICS SUGAR ALCOHOL DEHYDROGENASE ROSSMANN FOLD NADP OXIDOREDUCTASE
Ref.: CONVERTING NAD-SPECIFIC INOSITOL DEHYDROGENASE TO A EFFICIENT NADP-SELECTIVE CATALYST, WITH A SURPRISIN BIOCHEMISTRY V. 52 5876 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NT4 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3NT2 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4L8V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% 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 3NT4 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3NT2 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4L8V - 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 3NT4 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3NT2 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4L8V - 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 : 4L8V; Ligand: NAP; Similar sites found with APoc: 956
This union binding pocket(no: 1) in the query (biounit: 4l8v.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 2BOS GLA GAL GLC None
3 3CTY FAD 0.940439
4 2DKN NAI 1.17647
5 1BW9 NAD 1.18694
6 1C1X NAD 1.18694
7 1BXG NAD 1.18694
8 2VHW NAI 1.18694
9 6F7L FAD 1.18694
10 4NTC FAD 1.19403
11 5T2U NAP 1.20968
12 4E5N NAD 1.21212
13 2JAP NDP 1.21457
14 2JAH NDP 1.21457
15 5N2I NAP 1.2931
16 5Y8L NAD 1.35593
17 5Y8L HUI 1.35593
18 1RP0 AHZ 1.40845
19 4D42 W0I 1.41844
20 4D42 NAP 1.41844
21 2GZ3 NAP 1.48368
22 5MLR NAP 1.48368
23 5MLR GRQ 1.48368
24 1TB4 PEJ 1.48368
25 1ORR NAD 1.48368
26 5EOW FAD 1.48368
27 4RPL 3UC 1.48368
28 4RPL FAD 1.48368
29 2V6G NAP 1.48368
30 2Q0L NAP 1.60772
31 2Q0L FAD 1.60772
32 1O6Z NAD 1.65016
33 4NBT NAD 1.66667
34 3GFB NAD 1.78042
35 5TOW ADN 1.78042
36 5TOW NAI 1.78042
37 1DLJ NAI 1.78042
38 1DLJ UGA 1.78042
39 1D1T NAD 1.78042
40 4HXY NDP 1.78042
41 1UDB NAD 1.78042
42 1UDB UFG 1.78042
43 6FHO FAD 1.78042
44 1MO9 FAD 1.78042
45 4TM3 FAD 1.78042
46 1MO9 KPC 1.78042
47 4XQC NAD 1.78042
48 1P0F NAP 1.78042
49 2ZXI FAD 1.78042
50 4X9M FAD 1.78042
51 1ZK7 FAD 1.78042
52 4YNU FAD 1.78042
53 4XQC 13D 1.78042
54 1D4D FAD 1.78042
55 4YNU LGC 1.78042
56 2B5W NAP 1.78042
57 5M67 NAD 1.78042
58 3I6I NDP 1.78042
59 2AWN ADP 1.78042
60 5M67 ADE 1.78042
61 4W6Z 8ID 1.78042
62 5M67 3D1 1.78042
63 2FZW NAD 1.78042
64 1XKQ NDP 1.78571
65 4MDH NAD 1.79641
66 5MDH NAD 1.8018
67 6EQS BV8 1.81818
68 5O4J SAH 1.82482
69 5O4J PJL 1.82482
70 5O4J 9KH 1.82482
71 5UAV NDP 1.86335
72 5UAV TFB 1.86335
73 5NM7 GLY 1.8797
74 4CJX NAP 1.88088
75 4ZRN UPG 1.92308
76 4ZRN NAD 1.92308
77 1VL0 NAI 2.05479
78 2AOT SAH 2.05479
79 1X7D NAD 2.07715
80 2NPX NAD 2.07715
81 1CDO NAD 2.07715
82 4XYB NDP 2.07715
83 1OC2 TDX 2.07715
84 1OC2 NAD 2.07715
85 1R6D DAU 2.07715
86 5YU3 NAD 2.07715
87 5YU3 PRO 2.07715
88 1R6D NAD 2.07715
89 4BV6 FAD 2.07715
90 4R5M NAP 2.07715
91 5KMS NAD 2.07715
92 3S5W NAP 2.07715
93 1Z45 NAD 2.07715
94 3QVP FAD 2.07715
95 2AQJ TRP 2.07715
96 2AQJ FAD 2.07715
97 1X7D ORN 2.07715
98 3S5W FAD 2.07715
99 4U8P FDA 2.07715
100 4U8P UDP 2.07715
101 3TWO NDP 2.07715
102 4R5M 4NO 2.07715
103 5EB4 FAD 2.07715
104 3OZ2 FAD 2.07715
105 1YY5 FAD 2.07715
106 5C9P FUC 2.07715
107 1ZBQ NAD 2.07715
108 1XG5 NAP 2.07715
109 5ZBC FAD 2.07715
110 5AHO TLA 2.08333
111 4ZCC FAD 2.08333
112 4ZCC NAI 2.08333
113 2D5A COA 2.08333
114 5G4L NDP 2.0979
115 5NUF NAD 2.10843
116 5NUE NAD 2.10843
117 2PZM UDP 2.12121
118 2PZM NAD 2.12121
119 5LQ8 GB 2.12766
120 6BWL NAD 2.13415
121 3F8D FAD 2.16718
122 1GZ6 NAI 2.19436
123 6F9Q NAD 2.20588
124 5THQ NDP 2.20588
125 4UP3 FAD 2.2293
126 4UP3 NDP 2.2293
127 5X20 NAD 2.24359
128 4OM8 NAD 2.26537
129 5NII FAD 2.26537
130 2EV9 NAP 2.28137
131 2EV9 SKM 2.28137
132 5GT9 NAP 2.28137
133 1U7T TDT 2.29885
134 1U7T NAD 2.29885
135 4YUW S4M 2.30263
136 4YUW 4JU 2.30263
137 2P3V SRT 2.34375
138 2NXE SAM 2.3622
139 3GRU AMP 2.37288
140 1MV8 NAD 2.37389
141 1MUU NAD 2.37389
142 1X87 NAD 2.37389
143 3ULK NDP 2.37389
144 1E3I CXF 2.37389
145 2Q1S NAI 2.37389
146 1UWK URO 2.37389
147 1UWK NAD 2.37389
148 5YEC ATP 2.37389
149 2Y6Q I7T 2.37389
150 5JCM NAD 2.37389
151 1RJW ETF 2.37389
152 1KEW NAD 2.37389
153 2Y6Q FAD 2.37389
154 5JCM ISD 2.37389
155 5JCM FAD 2.37389
156 1SB8 UD2 2.37389
157 1SB8 NAD 2.37389
158 5EZ7 FAD 2.37389
159 1KEW TYD 2.37389
160 3WGT QSC 2.37389
161 3WGT FAD 2.37389
162 2RGH FAD 2.37389
163 3X0V FAD 2.37389
164 5W3K 9TY 2.37389
165 2RGO FAD 2.37389
166 5W3K NDP 2.37389
167 4USQ FAD 2.37389
168 4GLL NAD 2.37389
169 4RSL FAD 2.37389
170 4BVA NDP 2.38806
171 4BVA T3 2.38806
172 5A96 GTP 2.40964
173 1PZG A3D 2.41692
174 3CH6 311 2.44755
175 3CH6 NAP 2.44755
176 1E7S NAP 2.49221
177 5U5N NAD 2.50896
178 3SJU NDP 2.50896
179 2QZZ EMF 2.51572
180 2QZZ NAP 2.51572
181 1TDF NAP 2.53165
182 1TDF FAD 2.53165
183 1NYT NAP 2.58303
184 4Y9D NAI 2.62295
185 5JE8 NAD 2.64901
186 3T31 DCQ 2.67062
187 3T31 FAD 2.67062
188 4D04 NAP 2.67062
189 4D04 FAD 2.67062
190 1REO FAD 2.67062
191 1OBB NAD 2.67062
192 4JNA FAD 2.67062
193 3UOY FAD 2.67062
194 3UOY NAP 2.67062
195 4B63 NAP 2.67062
196 4B63 ORN 2.67062
197 4B63 FAD 2.67062
198 2WPF WPF 2.67062
199 2WPF FAD 2.67062
200 2GV8 NDP 2.67062
201 1RYI GOA 2.67062
202 1RYI FAD 2.67062
203 3KLJ FAD 2.67062
204 4EIP FAD 2.67062
205 1KEV NDP 2.67062
206 5TUF TDC 2.67062
207 2GV8 FAD 2.67062
208 5HSA FAS 2.67062
209 5BRT CH9 2.67062
210 5X68 FAD 2.67062
211 2FN1 PYR 2.67062
212 5BRT FAD 2.67062
213 4TSK NDP 2.67062
214 1GET NAP 2.67062
215 1GET FAD 2.67062
216 4MO2 FAD 2.67062
217 1WDI CIT 2.67062
218 4MO2 FDA 2.67062
219 1VQW FAD 2.67062
220 5TUF FAD 2.67062
221 2ZJ1 NAD 2.67062
222 2GVC FAD 2.67062
223 2ZJ1 ARJ 2.67062
224 3Q3C NAD 2.67559
225 1Z82 NDP 2.68657
226 6CEP NAD 2.69461
227 6CEP OXM 2.69461
228 4PLT NAI 2.71903
229 4PLT OXM 2.71903
230 6GAS FAD 2.71903
231 3FG2 FAD 2.72277
232 1GEG NAD 2.73438
233 1SOW NAD 2.7439
234 3ICC NAP 2.7451
235 3C1O NAP 2.80374
236 1HDR NAD 2.86885
237 2BD0 NAP 2.86885
238 5CAE COA 2.8754
239 5CAE SIN 2.8754
240 4D3F NAP 2.90323
241 1HYH NAD 2.91262
242 5AYV NAP 2.91262
243 5AYV KPL 2.91262
244 6GNO XDI 2.96296
245 1HKU NAD 2.96736
246 5DN9 NAD 2.96736
247 2B4R NAD 2.96736
248 2B4R AES 2.96736
249 1LLU NAD 2.96736
250 4EDF UPG 2.96736
251 5BUK FAD 2.96736
252 3E1T FAD 2.96736
253 1FEC FAD 2.96736
254 5KOX RFP 2.96736
255 5KOX FAD 2.96736
256 3SQP FAD 2.96736
257 2IVD FAD 2.96736
258 1PN0 FAD 2.96736
259 1PN0 IPH 2.96736
260 5MBX FAD 2.96736
261 5MBX SP5 2.96736
262 2C5A GDC 2.96736
263 2C5A NAD 2.96736
264 2I3G NAP 2.96736
265 2VVL FAD 2.96736
266 2VVM FAD 2.96736
267 3GMB FAD 2.96736
268 5HXI FAD 2.96736
269 6F97 FAD 2.96736
270 5TTJ FAD 2.96736
271 6EL3 NAP 2.96736
272 4EUE NAI 2.96736
273 5YB7 FAD 2.96736
274 5YB7 ORN 2.96736
275 5AOV NAP 2.97619
276 1W73 NAP 2.98013
277 1W8D NAP 2.98013
278 3IHG FAD 2.99065
279 1J49 NAD 3.003
280 3BAZ NAP 3.003
281 3LZW NAP 3.01205
282 3LZW FAD 3.01205
283 1H5Q NAP 3.01887
284 5E5U MLI 3.0303
285 2HJR APR 3.04878
286 1Z0N BCD 3.125
287 3FGZ BEF 3.125
288 2O4C NAD 3.15789
289 5GWT NAD 3.23741
290 5GWT SIN 3.23741
291 2RH4 EMO 3.2491
292 4ZGS NAD 3.2641
293 3CIF NAD 3.2641
294 4RQU NAD 3.2641
295 1LVL NAD 3.2641
296 3CIF G3H 3.2641
297 4YT4 FE9 3.2641
298 1P31 EPU 3.2641
299 3WMX NAD 3.2641
300 3ZNN 4WL 3.2641
301 3ZNN FAD 3.2641
302 5FJN BE2 3.2641
303 5FJN FAD 3.2641
304 1Q1R FAD 3.2641
305 1YKF NAP 3.2641
306 1GTE FAD 3.2641
307 1KNR FAD 3.2641
308 3LXD FAD 3.2641
309 3L4S NAD 3.27381
310 3L4S 3PG 3.27381
311 3WBF NAP 3.27869
312 3WBF API 3.27869
313 3KB6 NAD 3.29341
314 1SQS TLA 3.30579
315 1W6U NAP 3.31126
316 1J0X NAD 3.31325
317 1EJ0 SAM 3.33333
318 1B8U NAD 3.34347
319 1B8U OAA 3.34347
320 1IY8 NAD 3.37079
321 5GZ6 NDP 3.37423
322 5GZ6 7C3 3.37423
323 1XSE NDP 3.38983
324 5L53 NAP 3.39506
325 5GUD NDP 3.39703
326 5GUD 2IT 3.39703
327 2AG8 NAP 3.42205
328 5K4W THR 3.42679
329 5K4W NAI 3.42679
330 2RBK VN4 3.44828
331 5JCA NDP 3.52113
332 5JCA FAD 3.52113
333 5KKA 6V0 3.52564
334 3KO8 NAD 3.52564
335 3VPH NAD 3.54839
336 3VPH OXM 3.54839
337 1PL6 NAD 3.56083
338 1CF2 NAP 3.56083
339 1X14 NAD 3.56083
340 1PL6 572 3.56083
341 2FR1 NDP 3.56083
342 5MZI FAD 3.56083
343 5MZI FYK 3.56083
344 5Y77 FAD 3.56083
345 1Y8Q ATP 3.56083
346 1PS9 FAD 3.56083
347 1PS9 NAP 3.56083
348 4MP8 NAD 3.56083
349 4MP8 MLI 3.56083
350 1I2B UPG 3.56083
351 1I2B USQ 3.56083
352 1I2B NAD 3.56083
353 2VTD LKM 3.56083
354 2C7G FAD 3.56083
355 1VJT NAD 3.56083
356 2C7G ODP 3.56083
357 1BXK NAD 3.56083
358 4DSG UDP 3.56083
359 4DSG FAD 3.56083
360 1A99 PUT 3.56083
361 3LU1 NAD 3.56083
362 3M89 GSP 3.56083
363 1NAA 6FA 3.56083
364 1ZK4 NAP 3.58566
365 4NBU NAI 3.6
366 5BSH PRO 3.61011
367 1CER NAD 3.62538
368 4URF NAD 3.62903
369 2GCG NDP 3.63636
370 3NUG NAD 3.64372
371 1LDM NAD 3.64742
372 3WV8 ATP 3.66972
373 5MIT NAP 3.66972
374 5MIT FAD 3.66972
375 5OJL TXP 3.69128
376 2Q7V FAD 3.69231
377 4ITU 1HS 3.71747
378 4ITU NAI 3.71747
379 1DJN ADP 3.84088
380 2DFV NAD 3.85757
381 1VKO NAD 3.85757
382 5NMX NAP 3.85757
383 4G5H NAP 3.85757
384 4G5H UD7 3.85757
385 1SAY PYR 3.85757
386 3UCL NAP 3.85757
387 4TXI FAD 3.85757
388 1QMG APX 3.85757
389 3UCL CYH 3.85757
390 3UCL FAD 3.85757
391 6ER9 NAP 3.85757
392 6ER9 FAD 3.85757
393 3L9W AMP 3.85757
394 3DAG FEG 3.85757
395 2GN4 NDP 3.85757
396 2BRY FAD 3.85757
397 2GN4 UD1 3.85757
398 2QRK AMP 3.85757
399 2E5V FAD 3.85757
400 3L9W GSH 3.85757
401 3SSO SAH 3.85757
402 4MIG G3F 3.85757
403 1YQZ FAD 3.85757
404 5N0J FAD 3.85757
405 4JJF FE9 3.85757
406 5L4L NAP 3.85757
407 2B9W FAD 3.85757
408 5NMX FAD 3.85757
409 4JJF N2I 3.85757
410 4JK3 NAD 3.861
411 4J4H NAI 3.861
412 4J4H 1J1 3.861
413 2Q1W NAD 3.9039
414 4XZ3 COA 3.91304
415 2EUG URA 3.93013
416 3FXU TSU 3.93443
417 1J5P NAD 3.95257
418 1JA9 NDP 4.0146
419 4TQG NDP 4.02477
420 1T26 NAI 4.03727
421 1T26 GBD 4.03727
422 4YAC NAI 4.0404
423 2A92 NAI 4.04984
424 5T9E NAP 4.05904
425 5T9F TYR 4.05904
426 5T9F NAP 4.05904
427 3HVJ 705 4.0724
428 3RFV 15L 4.11985
429 3RFV NAI 4.11985
430 4XUC 43G 4.12844
431 4XUC SAM 4.12844
432 3GGO ENO 4.14013
433 3GGO NAI 4.14013
434 1PJS NAD 4.1543
435 1RM0 D6P 4.1543
436 4D79 ATP 4.1543
437 5XWV 8H6 4.1543
438 5XWV NDP 4.1543
439 1UP7 NAD 4.1543
440 6C4T NA7 4.1543
441 1LJ8 NAD 4.1543
442 5BVA FAD 4.1543
443 1GR0 NAD 4.1543
444 2IID PHE 4.1543
445 2IID FAD 4.1543
446 1M2W NAD 4.1543
447 1BZL FAD 4.1543
448 1BZL GCG 4.1543
449 5ZYN FAD 4.1543
450 6DNT NAD 4.1543
451 6FP4 E1T 4.1543
452 2X6T NAP 4.1543
453 1RSG FAD 4.1543
454 3K7M FAD 4.1543
455 6FP4 FAD 4.1543
456 1RM0 NAI 4.1543
457 4IV9 FAD 4.1543
458 4D7E FAD 4.1543
459 1GPM CIT 4.1543
460 1RKX NAD 4.1543
461 4GKV NAD 4.16667
462 4J7U YTZ 4.16667
463 4J7U NAP 4.16667
464 1NVT NAP 4.18118
465 4OSP NAP 4.18251
466 4PLG OXM 4.19162
467 4PLG NAI 4.19162
468 5EJ2 NAD 4.22078
469 1NFQ NAI 4.23077
470 4E13 NAD 4.24028
471 5X9D 80F 4.27632
472 5Z75 NAD 4.28135
473 2CUL FAD 4.31034
474 3QFA FAD 4.31034
475 1OMO NAD 4.34783
476 1F06 2NP 4.375
477 1F06 NDP 4.375
478 5O42 BGC 4.37956
479 5O42 9JW 4.37956
480 5O42 NAD 4.37956
481 3A4V NAD 4.4164
482 3A4V PYR 4.4164
483 1O0S NAI 4.45104
484 1SC6 NAD 4.45104
485 5BJX NAD 4.45104
486 5BJX UDP 4.45104
487 5VN0 FAD 4.45104
488 1WPQ NAD 4.45104
489 4J1Q NDP 4.45104
490 5VN0 NAI 4.45104
491 2GSD NAD 4.45104
492 1EK6 UPG 4.45104
493 1EK6 NAI 4.45104
494 2R4J FAD 4.45104
495 2R4J 13P 4.45104
496 3ITJ FAD 4.45104
497 5MZN ADP 4.45104
498 1COY FAD 4.45104
499 3NKS FAD 4.45104
500 5J7X FAD 4.45104
501 3GEG NAD 4.45344
502 5Z2L NDP 4.4898
503 2CVZ NDP 4.49827
504 3BMO NAP 4.51389
505 5JDI NAP 4.51389
506 3JQG NAP 4.51389
507 3JQA NAP 4.51389
508 3JQF NAP 4.51389
509 3BMQ NAP 4.51389
510 4CM4 NAP 4.51389
511 4CM8 NAP 4.51389
512 4CMI NAP 4.51389
513 4CLR NAP 4.51389
514 3JQ9 NAP 4.51389
515 5JCJ NAP 4.51389
516 4CM9 NAP 4.51389
517 5JDC NAP 4.51389
518 5K6A NAP 4.51389
519 3BMN NAP 4.51389
520 3JQ8 NAP 4.51389
521 4CLO NAP 4.51389
522 3JQ7 NAP 4.51389
523 3JQB NAP 4.51389
524 4CME NAP 4.51389
525 1EQ2 NAP 4.51613
526 1UAY ADN 4.54545
527 4USI AKG 4.54545
528 4KWI 1TJ 4.56274
529 4KWI NAP 4.56274
530 1ZEM NAD 4.58015
531 1G0N NDP 4.59364
532 1G0N PHH 4.59364
533 4CQM NAP 4.5977
534 5OJI NAP 4.61538
535 5OJI ISN 4.61538
536 2G5C NAD 4.62633
537 5NC1 NAG 4.64135
538 2PK3 A2R 4.6729
539 1MXH DHF 4.71014
540 1MXH NAP 4.71014
541 2WSB NAD 4.72441
542 1WKM MET 4.74576
543 1F8G NAD 4.74777
544 1V59 NAD 4.74777
545 5O9F NAD 4.74777
546 5O9F 9ON 4.74777
547 1U1I NAD 4.74777
548 1H2B NAJ 4.74777
549 5A1T NAI 4.74777
550 5A1T OXM 4.74777
551 2NAD NAD 4.74777
552 1E5Q NDP 4.74777
553 4XDZ NDP 4.74777
554 4BJZ FAD 4.74777
555 4BJZ P3A 4.74777
556 5WGR FAD 4.74777
557 1V59 FAD 4.74777
558 5E4R NAP 4.74777
559 5NA1 FAD 4.74777
560 3H5N ATP 4.74777
561 1I8T FAD 4.74777
562 1NM5 NAD 4.74777
563 4IF4 BEF 4.80769
564 5FEU NAP 4.811
565 5K0A FAD 4.84848
566 5D4V SAH 4.85075
567 2VZ0 NAP 4.85075
568 2VZ0 D64 4.85075
569 2WD7 NAP 4.85075
570 1UXG FUM 4.85437
571 1UXG NAD 4.85437
572 4RDH AMP 4.86111
573 4RDI ATP 4.86111
574 3H4V NAP 4.86111
575 3H4V DVP 4.86111
576 1VL8 NAP 4.86891
577 3QV1 NAD 4.87805
578 3AXB FAD 4.91071
579 3AXB PRO 4.91071
580 1I36 NAP 4.92424
581 4B4U NAP 4.9505
582 3ZV6 4HB 4.98221
583 3ZV6 NAD 4.98221
584 1OAA OAA 5.01931
585 2PV7 NAD 5.03356
586 5KVA SAM 5.03597
587 5FI3 NAP 5.04202
588 3ICS ADP 5.04451
589 3ICT ADP 5.04451
590 3NJ4 NAD 5.04451
591 2OOR NAD 5.04451
592 3NJ4 AFX 5.04451
593 1NVM NAD 5.04451
594 2JHF NAD 5.04451
595 1C0I BE2 5.04451
596 1C0I FAD 5.04451
597 1L7E NAI 5.04451
598 5G3U ITW 5.04451
599 5OC1 FAD 5.04451
600 3ETG GLU 5.04451
601 4JDR FAD 5.04451
602 3ETG NDP 5.04451
603 3G5S FAD 5.04451
604 6GAR FAD 5.04451
605 3WLE NAD 5.04451
606 4DPL NAP 5.04451
607 3ETG GTP 5.04451
608 2JHP SAH 5.04451
609 4USR FAD 5.04451
610 1YQD NAP 5.04451
611 5XWC NAP 5.04451
612 5XWC 8GL 5.04451
613 5XWC 2IT 5.04451
614 5G3U FDA 5.04451
615 3ICS FAD 5.04451
616 3ICT FAD 5.04451
617 2VOH CIT 5.09554
618 2RI1 GLP 5.10638
619 1HDG NAD 5.12048
620 1AE1 NAP 5.12821
621 5OCM NAP 5.15464
622 1WP4 NDP 5.19031
623 3AY6 NAI 5.20446
624 3AY6 BGC 5.20446
625 2EWM NAD 5.22088
626 1C3V NDP 5.30612
627 1EDO NAP 5.32787
628 3H9E NAD 5.34125
629 2YVF FAD 5.34125
630 2YVF NAD 5.34125
631 1Q0H NDP 5.34125
632 1Q0H FOM 5.34125
633 1H82 GZZ 5.34125
634 1H82 FAD 5.34125
635 3AB1 FAD 5.34125
636 6C4M NAP 5.34125
637 2DKH 3HB 5.34125
638 2RGJ FAD 5.34125
639 1Y1P NMN AMP PO4 5.34125
640 2DKH FAD 5.34125
641 1EZ4 NAD 5.34591
642 2ZAT NAP 5.38462
643 1XHL NDP 5.38721
644 5FFF NAP 5.44747
645 5FFF 5XC 5.44747
646 4O0L NDP 5.45455
647 4FN4 NAD 5.51181
648 3RJ5 NAD 5.51181
649 2VT3 ATP 5.5814
650 2GDZ NAD 5.61798
651 1EBF NAD 5.63798
652 5Z20 NAI 5.63798
653 4OOE FOM 5.63798
654 4OOE NDP 5.63798
655 3K5I AIR 5.63798
656 1YKJ PHB 5.63798
657 1YKJ FAD 5.63798
658 5MQ6 NDP 5.63798
659 1F8F NAD 5.63798
660 4CNK FAD 5.63798
661 5JWC FAD 5.63798
662 4PIV NDP 5.63798
663 1U3U BNF 5.63798
664 1U3U NAD 5.63798
665 4XB2 NDP 5.67164
666 4XB2 HSE 5.67164
667 6GNC FAD 5.78231
668 4YRY NAD 5.7971
669 4YRY FAD 5.7971
670 2CVQ NDP 5.8104
671 3FPZ AHZ 5.82822
672 3TN7 NJP 5.83658
673 1VKF CIT 5.85106
674 4RF2 NAP 5.88235
675 1NE7 AGP 5.88235
676 1KJ8 GAR 5.93472
677 3V1Y NAD 5.93472
678 5I39 FAD 5.93472
679 3V1U NAD 5.93472
680 3GDN FAD 5.93472
681 3GDN HBX 5.93472
682 3WQQ NDP 5.93472
683 3WQQ IB3 5.93472
684 4Z0H NAD 5.98802
685 3FZG SAM 6
686 1P1C SAH 6.03015
687 3U4C NDP 6.04982
688 5ZI2 ADP 6.08696
689 5ZI2 NAD 6.08696
690 1BDB NAD 6.13718
691 3VZS NAP 6.22568
692 3VZS CAA 6.22568
693 3ABI NAD 6.23145
694 4KP7 NAP 6.23145
695 5J5Z FAD 6.23145
696 4J36 FAD 6.23145
697 4J36 1HR 6.23145
698 5JY6 NAD 6.23145
699 1H9A NAP 6.23145
700 2QA1 FAD 6.23145
701 1WVG APR 6.23145
702 4KP7 1UQ 6.23145
703 3QWI CUE 6.2963
704 3QWI NAP 6.2963
705 1DSS NAD 6.30631
706 1LDN NAD 6.32911
707 3Q9N COA 6.32911
708 4EA7 COA 6.36364
709 4EA7 JB2 6.36364
710 2CFC NAD 6.4
711 4L8F MTX 6.41026
712 5UR0 NAD 6.52819
713 6C4N NAP 6.52819
714 4OPC PGT 6.52819
715 1GZ4 ATP 6.52819
716 4OPC FDA 6.52819
717 1GPE FAD 6.52819
718 3AYI FAD 6.52819
719 3AYI HCI 6.52819
720 2GMH FAD 6.52819
721 1GY8 NAD 6.52819
722 4JBI NDP 6.52819
723 2GK6 ADP 6.52819
724 3OID NDP 6.58915
725 1GAD NAD 6.66667
726 2IZ1 ATR 6.82493
727 5U8U FAD 6.82493
728 5TWB FAD 6.82493
729 5TS5 FAD 6.82493
730 3LAD FAD 6.82493
731 3NYC FAD 6.82493
732 3NYC IAR 6.82493
733 3DXY SAM 6.88073
734 2VYN NAD 6.94864
735 6CI9 NAP 6.94981
736 4XYM COA 6.95652
737 4NBW NAD 7.00389
738 2YY7 NAD 7.05128
739 3OND NAD 7.12166
740 3OND ADN 7.12166
741 3O03 NAP 7.2165
742 4K5S PM0 7.4184
743 4YKG NAD 7.4184
744 3GD4 FAD 7.4184
745 3GD4 NAD 7.4184
746 1K3T BRZ 7.4184
747 4YKG FAD 7.4184
748 1QO8 FAD 7.4184
749 4K5S FAD 7.4184
750 1RQL VSO 7.49064
751 5J60 FAD 7.5
752 9LDT NAD 7.53012
753 9LDB NAD 7.53012
754 1V6A TRE 7.53012
755 3B1F NAD 7.58621
756 4YAG NAI 7.61246
757 2NU8 COA 7.63889
758 2AE2 PTO 7.69231
759 2AE2 NAP 7.69231
760 6C5F 7L9 7.69231
761 2CDU ADP 7.71513
762 5Z21 NAI 7.71513
763 3A06 NDP 7.71513
764 3A06 FOM 7.71513
765 2GAG NAD 7.71513
766 1E6E FAD 7.71513
767 1E1M NAP 7.71513
768 1E1M FAD 7.71513
769 4M52 FAD 7.71513
770 2A8X FAD 7.71513
771 4M52 M52 7.71513
772 2CDU FAD 7.71513
773 2GAG FOA 7.71513
774 2GAG FAD 7.71513
775 1FK8 NAD 7.7821
776 3D3W NAP 7.78689
777 1PR9 NAP 7.78689
778 6BII NAP 7.80781
779 4ZVV GN0 7.83133
780 4ZVV NAD 7.83133
781 2Q46 NAP 7.90514
782 5Z2F NAP 7.92453
783 2HK9 ATR 8
784 2HK9 NAP 8
785 1JNR FAD 8
786 2CDC XYP 8.01187
787 2CDC XYS 8.01187
788 1V8B NAD 8.01187
789 2NVK NAP 8.01187
790 5GSN FAD 8.01187
791 5GSN NAP 8.01187
792 5GSN MMZ 8.01187
793 2CDC NAP 8.01187
794 2NVK FAD 8.01187
795 1FL2 FAD 8.06452
796 3AD8 NAD 8.08081
797 3AD8 FAD 8.08081
798 3AD8 PYC 8.08081
799 2DBZ NAP 8.08383
800 3HAD NAD 8.11688
801 3AFN NAP 8.13953
802 2F1K NAP 8.24373
803 2BGM NAJ 8.27338
804 3QJ4 FAD 8.30861
805 2Z3Y F2N 8.30861
806 2HQM FAD 8.30861
807 4REP FAD 8.30861
808 1O94 ADP 8.33333
809 2JL1 NAP 8.36237
810 1ZQ9 SAM 8.42105
811 1E3W NAD 8.42912
812 1E6W NAD 8.46154
813 2DC1 NAD 8.47458
814 4AP3 NAP 8.60534
815 4AP3 FAD 8.60534
816 2J5V RGP 8.60534
817 3ORF NAD 8.76494
818 1KOL NAD 8.79397
819 3OJO NAD 8.90208
820 4GUT FAD 8.90208
821 4GUS FAD 8.90208
822 4FWE FAD 8.90208
823 4HSU FAD 8.90208
824 6AIN FAD 8.90208
825 1XHC FAD 8.90208
826 2XCU C5P 8.90208
827 1FWV SGA MAG FUC 8.95522
828 3OA2 NAD 9.1195
829 3SJ7 NDP 9.12698
830 5ZZ6 ADP 9.13461
831 5ZZ6 NAD 9.13461
832 2YVJ NAI 9.17431
833 2YVJ FAD 9.17431
834 3B20 NAD 9.19881
835 2D2I NAP 9.19881
836 3CGB FAD 9.19881
837 4Z24 FAD 9.19881
838 4KQW NAP 9.19881
839 5EES NAP 9.31174
840 5VKT NAP 9.39227
841 2Q2V NAD 9.41177
842 2DT5 NAD 9.47867
843 1O5I NAD 9.63855
844 1VI2 NAD 9.66667
845 5TC4 NAD 9.81013
846 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 9.83607
847 1HYE NAP 9.90415
848 1P77 ATR 9.92647
849 5H81 NAP 10.0257
850 2AHR NAP 10.0386
851 1NPD NAD 10.0694
852 5LD5 NAD 10.089
853 5KVS NAP 10.089
854 5DF1 NAP 10.089
855 5DF1 58X 10.089
856 2YG3 FAD 10.089
857 5KVS 6XR 10.089
858 3HB5 NAP 10.3976
859 5XVH NAP 10.4575
860 1VM6 NAD 10.5263
861 6A0S NDP 10.5422
862 6A0S HSE 10.5422
863 1GV0 NAD 10.6452
864 1GUZ NAD 10.6452
865 1GQ2 NAP 10.6825
866 4MOP 2H5 10.6825
867 1I7Q PYR 10.6825
868 3CMC NAD 10.7784
869 4YSX FAD 10.8974
870 1A5Z NAD 10.9718
871 1RM4 NDP 10.9792
872 4NTD FAD 10.9792
873 2YYY NAP 11.276
874 1LTH NAD 11.2853
875 5ODQ FAD 11.4286
876 2HYQ MAN MAN 11.4754
877 2HYR BGC GLC 11.4754
878 2GUD MAN 11.4754
879 2NUO BGC 11.4754
880 1YJQ NAP 11.5512
881 1YS4 NAP 11.5727
882 2WET FAD 11.5727
883 2FKA BEF 11.6279
884 5U5G NAP 11.8644
885 2XVF FAD 11.8694
886 1KYQ NAD 12.0438
887 4II2 ATP 12.0482
888 2XVE FAD 12.1662
889 5B4T 3HR 12.3077
890 5B4T NAD 12.3077
891 2HMT NAI 12.5
892 6GNA FAD 12.8472
893 1LUA NAP 12.892
894 1N1G BCP 13.0564
895 4YCA NDP 13.2653
896 1DIG NAP 13.3987
897 1DIG L37 13.3987
898 1WDK NAD 13.6499
899 4HA6 FAD 13.6499
900 3RNM FAD 13.7931
901 2C29 NAP 13.9466
902 4XDY NAI 14.2433
903 6F3N ADN 14.5401
904 6F3N NAD 14.5401
905 6F3M NAD 14.5401
906 2RAB NAD 14.5401
907 1Q9I FAD 14.5401
908 1Q9I TEO 14.5401
909 2RAB FAD 14.5401
910 3H8V ATP 14.726
911 1JG3 ADN 14.8936
912 1X1T NAD 15.3846
913 5L95 AMP 15.4122
914 2DTX BMA 15.9091
915 4EMI NAD 16.0237
916 4EMI FAD 16.0237
917 5YAP 8S0 16.3158
918 5YAP NAI 16.3158
919 6AA8 NAD 16.5563
920 5EIN NAP 16.6667
921 1RZ1 NAD 16.7702
922 3MCT SAH 16.835
923 5N6C NAD 17
924 1LK7 DER 17.4672
925 1R37 NAD 17.5793
926 1LC3 NAD 17.6871
927 2IXB NAD 18.1009
928 2IXB A2G 18.1009
929 3CGD FAD 18.1009
930 3CGD COA 18.1009
931 3CGD NAD 18.1009
932 2F5Z FAD 18.75
933 1RYD NDP 18.9911
934 1H6C NDP 18.9911
935 1H6C SIN 18.9911
936 3B1J NAD 20
937 5V6F MAN BMA MAN 21.0145
938 1DRV A3D 22.7106
939 1ZH8 NAP 22.8487
940 5OFW 9TW 22.87
941 4EMJ FAD 24.2991
942 1JAY NAP 24.5283
943 3O9Z NAD 25.3205
944 3O9Z AKG 25.3205
945 5N53 8NB 25.641
946 3Q2K HP7 26.4095
947 5A04 BGC 28.7834
948 5A04 NDP 28.7834
949 4J56 FAD 30.7018
950 1LSS NAD 30.7143
951 3RC1 NAP 31.7507
952 3RC1 TLO 31.7507
953 6A3J SOE 36.0976
954 6A3J NAI 36.0976
955 4KOA NDP 45.6456
956 2GLX NDP 46.988
Pocket No.: 2; Query (leader) PDB : 4L8V; Ligand: NAP; Similar sites found with APoc: 65
This union binding pocket(no: 2) in the query (biounit: 4l8v.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1VDC FAD 1.2012
2 5MSO NAP 1.78042
3 4U7W NDP 1.78042
4 5O98 NAP 1.89274
5 5KMS FAD 2.07715
6 4O1M NAD 2.22222
7 4NOS H4B 2.37389
8 4EIP K2C 2.67062
9 1V35 NAI 2.73556
10 4PVD NDP 2.96736
11 5HXI 5HN 2.96736
12 2JB2 FAD 2.96736
13 2JB2 PHE 2.96736
14 1RPN NDP 2.98507
15 5GGN LEC 3.04878
16 3Q9T FAY 3.2641
17 4AT0 FAD 3.2641
18 1LVL FAD 3.2641
19 5GUD CIT 3.39703
20 1NNU NAD 3.49345
21 1NNU TCT 3.49345
22 1NAA ABL 3.56083
23 1XCL SAH 3.82979
24 5WQP NCA 3.84615
25 5WQP NAP 3.84615
26 4B7X NAP 3.86905
27 4U00 ADP 4.09836
28 1GEE NAD 4.21456
29 1Z6Z NAP 4.25532
30 1COY AND 4.45104
31 5Y1G AKB 4.57317
32 5Y1G NAD 4.57317
33 4Q9N NAI 4.69799
34 4C3Y FAD 4.74777
35 4C3Y ANB 4.74777
36 5UAO FAD 4.74777
37 1C3M MAN MAN 4.7619
38 5YSS NAD 5.07812
39 6H3O FAD 5.34125
40 5ZEC NAP 5.63798
41 2ZB4 5OP 5.63798
42 3A28 NAD 5.81395
43 4R1S NAP 5.93472
44 1PGP 6PG 6.23145
45 4FC7 COA 6.4982
46 4FC7 NAP 6.4982
47 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 6.58436
48 1D7O TCL 6.73401
49 1D7O NAD 6.73401
50 2B4Q NAP 6.88406
51 3FWN ATR 7.12166
52 2AG5 NAD 7.31707
53 5JAQ NAI 7.4184
54 4M00 SUC 7.71513
55 4K26 SFF 8.33333
56 4K26 NDP 8.33333
57 2BKA NDP 8.67769
58 5TUK FAD 8.90208
59 3R75 PYR 9.19881
60 1JJ7 ADP 10.7692
61 2GUC MAN 11.4754
62 5TCI MLI 11.9565
63 2C29 DQH 13.9466
64 5OOH NAP 15.0485
65 5OOH 9ZZ 15.0485
Pocket No.: 3; Query (leader) PDB : 4L8V; Ligand: NAP; Similar sites found with APoc: 14
This union binding pocket(no: 3) in the query (biounit: 4l8v.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5X20 AOT 2.24359
2 3LL5 IP8 3.21285
3 2WW2 SWA 3.2641
4 1G5N UAP SGN IDS SGN 3.45912
5 5NXX 3Q7 3.73134
6 4NAO AKG 3.98773
7 1N4K I3P 4.1543
8 2HIM ASN 4.1543
9 3KLL MAL 4.45104
10 2NCD ADP 4.74777
11 6EV2 BGC 5.06912
12 4UP4 NDG 8.30861
13 2NU5 NAG 11.4754
14 5LOL GSH 19.5349
Pocket No.: 4; Query (leader) PDB : 4L8V; Ligand: NAP; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 4l8v.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4B1V LAB 1.48368
2 4B1V ATP 1.48368
3 1UVC STE 3.2967
4 4H03 LAR 3.85757