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Receptor
PDB id Resolution Class Description Source Keywords
2DM6 2 Å EC: 1.3.1.48 CRYSTAL STRUCTURE OF ANTI-CONFIGURATION OF INDOMETHACIN AND LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE/15-OXO-PROSTAGLANDINR EDUCTASE COMPLEX CAVIA PORCELLUS NAD(P)-BINDING ROSSMANN-FOLD DOMAINS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ANTI-CONFIGURATION OF INDOMETH LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE/15-OXO-PROST 13-REDUCTASE COMPLEX REVEALS THE STRUCTURAL BASIS O SPECTRUM INDOMETHACIN EFFICACY J.BIOCHEM.(TOKYO) V. 140 457 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMN A:1401;
Valid;
none;
ic50 = 97.9 uM
357.788 C19 H16 Cl N O4 Cc1c(...
NAP A:1400;
B:2400;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
TAM B:5000;
Invalid;
none;
submit data
163.215 C7 H17 N O3 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DM6 2 Å EC: 1.3.1.48 CRYSTAL STRUCTURE OF ANTI-CONFIGURATION OF INDOMETHACIN AND LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE/15-OXO-PROSTAGLANDINR EDUCTASE COMPLEX CAVIA PORCELLUS NAD(P)-BINDING ROSSMANN-FOLD DOMAINS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ANTI-CONFIGURATION OF INDOMETH LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE/15-OXO-PROST 13-REDUCTASE COMPLEX REVEALS THE STRUCTURAL BASIS O SPECTRUM INDOMETHACIN EFFICACY J.BIOCHEM.(TOKYO) V. 140 457 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1V3V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1V3T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2DM6 ic50 = 97.9 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1V3V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1V3T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2DM6 ic50 = 97.9 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZB7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 2ZB8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2ZB4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2ZB3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 4B7X - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1V3V - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 1V3T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 2DM6 ic50 = 97.9 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 IMN 1 1
2 511 0.5 0.92
3 241 0.444444 0.851852
4 240 0.401961 0.851852
Ligand no: 2; 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 : 2DM6; Ligand: IMN; Similar sites found with APoc: 337
This union binding pocket(no: 1) in the query (biounit: 2dm6.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 2DBZ NAP 1.2012
3 1CER NAD 1.20846
4 4BVA NDP 1.5015
5 3H9E NAD 1.5015
6 4BVA T3 1.5015
7 5A04 BGC 1.5015
8 5A04 NDP 1.5015
9 1YS4 NAP 1.5015
10 3LU1 NAD 1.5015
11 4E5N NAD 1.51515
12 5U5G NAP 1.69492
13 3B1F NAD 1.72414
14 3NJ4 AFX 1.8018
15 3NJ4 NAD 1.8018
16 4PLT NAI 1.81269
17 4PLT OXM 1.81269
18 1B8U NAD 1.82371
19 2CVQ NDP 1.83486
20 4DE2 DN3 1.90114
21 1HYH NAD 1.94175
22 4TUZ 36J 1.96078
23 5XQL C2E 2.06186
24 3BAZ NAP 2.1021
25 3ICT ADP 2.1021
26 3ICS ADP 2.1021
27 4E70 N7I 2.1021
28 1A5Z NAD 2.19436
29 1LDN NAD 2.21519
30 1DMH MCT 2.2508
31 4D3F NAP 2.25806
32 3WV8 ATP 2.29358
33 1X9I G6Q 2.31788
34 1W73 NAP 2.31788
35 1W8D NAP 2.31788
36 1W6U NAP 2.31788
37 5OJL TXP 2.34899
38 2PV7 NAD 2.34899
39 3TWO NDP 2.4024
40 6BII NAP 2.4024
41 1J49 NAD 2.4024
42 4MDH NAD 2.4024
43 5MDH NAD 2.4024
44 6C4N NAP 2.4024
45 5OCM NAP 2.4055
46 1GAD NAD 2.42424
47 5Z75 NAD 2.44648
48 5U5N NAD 2.50896
49 1KYQ NAD 2.55474
50 5D4V YGP 2.61194
51 1DIG NAP 2.61438
52 5VKT NAP 2.7027
53 5Z20 NAI 2.7027
54 3L9W AMP 2.7027
55 2CDC NAP 2.7027
56 1O0S NAI 2.7027
57 3V1Y NAD 2.7027
58 3B6Z CO7 2.7027
59 5FJJ MAN 2.7027
60 2CDC XYP 2.7027
61 2CDC XYS 2.7027
62 6A3J NAI 2.7027
63 4U7W NDP 2.7027
64 1WVG APR 2.7027
65 2I4O ATP 2.7027
66 5GZ6 NDP 2.76074
67 1W3R PYR 2.77778
68 1OMO NAD 2.79503
69 2PK3 A2R 2.80374
70 3FIU POP 2.81124
71 1DKU AP2 2.83912
72 3WBF NAP 2.95082
73 3KO0 TFP 2.9703
74 2I3G NAP 3.003
75 1IZO PAM 3.003
76 2PW0 TRC 3.003
77 2B5W NAP 3.003
78 3CIF NAD 3.003
79 2HIM ASP 3.003
80 4Z0H NAD 3.003
81 6C4T NA7 3.003
82 6F3M NAD 3.003
83 1BXK NAD 3.003
84 4ZVV GN0 3.01205
85 4ZVV NAD 3.01205
86 1SOW NAD 3.04878
87 1J5P NAD 3.16206
88 1C3V NDP 3.26531
89 2GSD NAD 3.3033
90 3K5I AIR 3.3033
91 1CDO NAD 3.3033
92 4LUT DCS 3.3033
93 1F8G NAD 3.3033
94 4OOE NDP 3.3033
95 3OND ADN 3.3033
96 3OND NAD 3.3033
97 2PZI AXX 3.3033
98 1V9A SAH 3.34728
99 1I36 NAP 3.40909
100 4JMO JAF 3.5
101 1GQ2 NAP 3.6036
102 5UR0 NAD 3.6036
103 1J78 OLA 3.6036
104 5UZ8 GSH 3.6036
105 5DN9 NAD 3.6036
106 4XQC 13D 3.6036
107 4XQC NAD 3.6036
108 1VKO NAD 3.6036
109 1GPM AMP 3.6036
110 4Y9D NAI 3.60656
111 1PZG A3D 3.62538
112 5Z21 NAI 3.63128
113 5LPG 71V 3.65854
114 5KZD RCJ 3.75427
115 1LTH NAD 3.76176
116 1ZEI CRS 3.77358
117 2DT5 NAD 3.79147
118 4WNP 3RJ 3.83275
119 4DPL NAP 3.9039
120 4XFR CIT 3.9039
121 5AOV NAP 3.9039
122 1WB4 SXX 3.9039
123 2B56 U5P 3.9039
124 1SC6 NAD 3.9039
125 6AM8 TRP 3.9039
126 6A46 DCM 3.90625
127 4AUA 4AU 3.90879
128 2GCG NDP 3.93939
129 5NE2 DGL 3.95683
130 1LUA NAP 4.18118
131 1GUZ NAD 4.19355
132 3VPH OXM 4.19355
133 3VPH NAD 4.19355
134 4XB2 NDP 4.2042
135 3KB6 NAD 4.2042
136 4XB2 HSE 4.2042
137 1E5Q NDP 4.2042
138 3T6E UQ9 4.2042
139 4XWM CBI 4.2042
140 1TB4 PEJ 4.2042
141 3DLS ADP 4.2042
142 3ITJ CIT 4.2042
143 9LDB NAD 4.21687
144 9LDT NAD 4.21687
145 2ZAT NAP 4.23077
146 1LDM NAD 4.25532
147 2HJR APR 4.26829
148 3NGL NAP 4.34783
149 1O5I NAD 4.41767
150 5EES NAP 4.45344
151 3TKY N7I 4.5045
152 2ZJ1 ARJ 4.5045
153 2ZJ1 NAD 4.5045
154 5NUF NAD 4.51807
155 5NUE NAD 4.51807
156 5Z2F NAP 4.5283
157 3KCC CMP 4.61538
158 5JE8 NAD 4.63576
159 1RM4 NDP 4.8048
160 5L4L NAP 4.93421
161 1T26 NAI 4.96894
162 1T26 GBD 4.96894
163 2APC UDM 4.97076
164 2A92 NAI 4.98442
165 2F1K NAP 5.01792
166 4JK3 NAD 5.01931
167 4J4H NAI 5.01931
168 4J4H 1J1 5.01931
169 1EBF NAD 5.1051
170 6CEP NAD 5.1051
171 6CEP OXM 5.1051
172 2VHW NAI 5.1051
173 4R5M 4NO 5.1051
174 4R5M NAP 5.1051
175 5UXH GFB 5.1051
176 4MP8 NAD 5.1051
177 4MP8 MLI 5.1051
178 1DRV A3D 5.12821
179 1JAY NAP 5.18868
180 5XVH NAP 5.22876
181 3B1J NAD 5.40541
182 1PJS NAD 5.40541
183 3B20 NAD 5.40541
184 2D2I NAP 5.40541
185 1CF2 NAP 5.40541
186 1V8B NAD 5.40541
187 2Q0L NAP 5.46624
188 5N18 8HZ 5.50459
189 2DC1 NAD 5.50847
190 3WSG CIT 5.55556
191 5N6C NAD 5.66667
192 1VI2 NAD 5.66667
193 3ABI NAD 5.70571
194 4ZGS NAD 5.70571
195 5CX6 CDP 5.70571
196 4HBM 0Y7 5.83333
197 1NPD NAD 5.90278
198 6AA8 NAD 5.96026
199 2J5V PCA 6.00601
200 1GPJ CIT 6.00601
201 3X01 AMP 6.00601
202 3WXL ADP 6.00601
203 2B4R NAD 6.00601
204 4RD0 GDP 6.00601
205 5KKA 6V0 6.08974
206 4CQM NAP 6.14754
207 1SQL GUN 6.16438
208 5ZKC 3C0 6.17577
209 2O4C NAD 6.30631
210 6EOM ALA LYS 6.30631
211 1HKU NAD 6.30631
212 1GV0 NAD 6.45161
213 2EV9 NAP 6.46388
214 2EV9 SKM 6.46388
215 2XOC ADP 6.51341
216 1O6Z NAD 6.60661
217 4XYB NDP 6.60661
218 1DSS NAD 6.60661
219 1GR0 NAD 6.60661
220 5YF9 NIO 6.60661
221 4I9B 1KA 6.60661
222 1NVT NAP 6.62021
223 5TSU CYS 6.63507
224 5N2I NAP 6.89655
225 2NAD NAD 6.90691
226 2CDU ADP 6.90691
227 1J0X NAD 6.92771
228 5TC4 NAD 6.96203
229 3LA3 2FT 6.99588
230 2VYN NAD 7.20721
231 4PLG OXM 7.20721
232 4PLG NAI 7.20721
233 1EZ4 NAD 7.2327
234 1AE1 NAP 7.32601
235 2GZ3 NAP 7.50751
236 1Z82 NDP 7.50751
237 2QRK AMP 7.50751
238 5ZI2 NAD 7.53623
239 5ZI2 ADP 7.53623
240 1WP4 NDP 7.61246
241 3GFB NAD 7.80781
242 4RQU NAD 7.80781
243 1GZ4 ATP 7.80781
244 1NC2 DOE 7.90698
245 1NC4 DOF 7.90698
246 3LN9 FLC 7.91367
247 43CA NPO 7.9646
248 1HYE NAP 7.98722
249 1PL6 NAD 8.10811
250 1PL6 572 8.10811
251 1NYT NAP 8.11808
252 5X20 NAD 8.33333
253 1R37 NAD 8.35735
254 1WDK NAD 8.40841
255 3HQP FDP 8.40841
256 5MTE BB2 8.75912
257 2YGM GLA NAG GAL FUC 9.00901
258 4LZB URA 9.2437
259 2BGM NAJ 9.35252
260 4JCA CIT 9.58084
261 5A1T NAI 9.60961
262 5A1T OXM 9.60961
263 4A0S NAP 9.90991
264 4R8L ASP 9.90991
265 1P77 ATR 9.92647
266 1XVB BHL BHL 10
267 2YVJ NAI 10.0917
268 5ZZ6 ADP 10.0962
269 5ZZ6 NAD 10.0962
270 1HBK COA 10.1124
271 1C1X NAD 10.2102
272 1BW9 NAD 10.2102
273 1BXG NAD 10.2102
274 1C1D PHE 10.2102
275 2VT3 ATP 10.6977
276 1D1T NAD 10.8108
277 1NVM NAD 10.8108
278 5M67 NAD 11.1111
279 5M67 ADE 11.1111
280 5M67 3D1 11.1111
281 1VBO MAN 11.4094
282 1E3I CXF 11.4114
283 3RFV NAI 11.6105
284 1WPQ NAD 11.7117
285 1LSS NAD 12.8571
286 1ZEM NAD 12.9771
287 1SAY PYR 13.0194
288 2HK9 ATR 13.4545
289 2HK9 NAP 13.4545
290 4JX1 CAM 13.5135
291 2FZW NAD 13.8138
292 2JL1 NAP 13.9373
293 4O0L NDP 14.1818
294 2OUA AES 14.8936
295 4DD8 BAT 15.3846
296 3B9Q MLI 15.5629
297 2JHF NAD 15.6156
298 1XG5 NAP 15.7706
299 3QV1 NAD 15.8537
300 4CS9 AMP 15.873
301 1F06 NDP 15.9375
302 1LLU NAD 16.2162
303 1VM6 NAD 17.1053
304 5H81 NAP 17.2236
305 2J8Z NAP 17.7177
306 4Y1B NAP 17.7177
307 3JYN NDP 17.8462
308 1X7D NAD 18.3183
309 5EIN NAP 18.5185
310 5DOZ NDP 18.6186
311 5FI3 NAP 19.2192
312 1KOL NAD 19.2192
313 3WLE NAD 20.1201
314 1U3U BNF 20.4204
315 1U3U NAD 20.4204
316 3A06 NDP 20.4204
317 1YQD NAP 20.4918
318 4IDC NDP 20.7831
319 4IDC 1XX 20.7831
320 1F8F NAD 21.3213
321 3QWB NDP 21.6216
322 4W6Z 8ID 25.5255
323 1P0F NAP 25.7373
324 5O9F 9ON 25.8258
325 5O9F NAD 25.8258
326 1H2B NAJ 26.7267
327 1YKF NAP 27.6276
328 1N9G NAP 28.2282
329 4WAS COO 28.2282
330 4WAS NAP 28.2282
331 4GKV NAD 28.2738
332 4JBI NDP 29.1291
333 1KEV NDP 29.4294
334 4RVU NDP 30.1205
335 1YB5 NAP 31.2312
336 2DFV NAD 36.9369
337 5DP2 NAP 43.2432
Pocket No.: 2; Query (leader) PDB : 2DM6; Ligand: NAP; Similar sites found with APoc: 315
This union binding pocket(no: 2) in the query (biounit: 2dm6.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 2DBZ NAP 1.2012
3 1P31 EPU 1.2012
4 1CER NAD 1.20846
5 4BVA NDP 1.5015
6 3H9E NAD 1.5015
7 4BVA T3 1.5015
8 5A04 BGC 1.5015
9 5A04 NDP 1.5015
10 1YS4 NAP 1.5015
11 4E5N NAD 1.51515
12 3B1F NAD 1.72414
13 3GD8 GOL 1.79372
14 3NJ4 NAD 1.8018
15 3NJ4 AFX 1.8018
16 5EXK 5AD 1.81269
17 4PLT NAI 1.81269
18 4PLT OXM 1.81269
19 1B8U NAD 1.82371
20 2CVQ NDP 1.83486
21 3VOZ 04A 1.90476
22 3GGO NAI 1.91083
23 2QA8 GEN 1.93798
24 1HYH NAD 1.94175
25 4TUZ 36J 1.96078
26 5XFH NAG MAN BMA MAN NAG GAL 2.06897
27 3BAZ NAP 2.1021
28 3ICT ADP 2.1021
29 3ICS ADP 2.1021
30 1A5Z NAD 2.19436
31 1LDN NAD 2.21519
32 4D3F NAP 2.25806
33 2AG8 NAP 2.28137
34 3WV8 ATP 2.29358
35 1W6U NAP 2.31788
36 1W73 NAP 2.31788
37 1W8D NAP 2.31788
38 5OJL TXP 2.34899
39 2PV7 NAD 2.34899
40 3TWO NDP 2.4024
41 6BII NAP 2.4024
42 4MDH NAD 2.4024
43 5MDH NAD 2.4024
44 1J49 NAD 2.4024
45 6C4N NAP 2.4024
46 5YU3 PRO 2.4024
47 5YU3 NAD 2.4024
48 5OCM NAP 2.4055
49 1GAD NAD 2.42424
50 5U5N NAD 2.50896
51 1KYQ NAD 2.55474
52 5D4V SAH 2.61194
53 1DIG NAP 2.61438
54 5VKT NAP 2.7027
55 5Z20 NAI 2.7027
56 1O0S NAI 2.7027
57 3L9W AMP 2.7027
58 6A3J NAI 2.7027
59 2CDC NAP 2.7027
60 3V1Y NAD 2.7027
61 2CDC XYP 2.7027
62 3B6Z CO7 2.7027
63 5FJJ MAN 2.7027
64 2I4O ATP 2.7027
65 2CDC XYS 2.7027
66 5GZ6 NDP 2.76074
67 1OMO NAD 2.79503
68 2PK3 A2R 2.80374
69 1DKU AP2 2.83912
70 3WBF NAP 2.95082
71 3KO0 TFP 2.9703
72 4Z0H NAD 3.003
73 3CIF NAD 3.003
74 2B5W NAP 3.003
75 6C4T NA7 3.003
76 2I3G NAP 3.003
77 6F3M NAD 3.003
78 3V8S 0HD 3.003
79 1KAH HIS 3.003
80 3CIF G3H 3.003
81 5JY4 ISC 3.003
82 6F3N ADN 3.003
83 6F3N NAD 3.003
84 5JXZ ISC 3.003
85 5JXZ ISJ 3.003
86 1HDG NAD 3.01205
87 4ZVV GN0 3.01205
88 4ZVV NAD 3.01205
89 1SOW NAD 3.04878
90 1J5P NAD 3.16206
91 5T7I LAT NAG GAL 3.22581
92 1CDO NAD 3.3033
93 2GSD NAD 3.3033
94 1F8G NAD 3.3033
95 4LUT DCS 3.3033
96 5LD5 NAD 3.3033
97 3OND NAD 3.3033
98 3OND ADN 3.3033
99 2F2U M77 3.3033
100 1V59 NAD 3.3033
101 4OOE NDP 3.3033
102 4OOE FOM 3.3033
103 1V9A SAH 3.34728
104 3H8V ATP 3.42466
105 4OM8 NAD 3.55987
106 1GQ2 NAP 3.6036
107 5UR0 NAD 3.6036
108 5CAD PCA 3.6036
109 1VKO NAD 3.6036
110 5DN9 NAD 3.6036
111 4XQC 13D 3.6036
112 1EI6 PPF 3.6036
113 4XQC NAD 3.6036
114 1PZG A3D 3.62538
115 5Z21 NAI 3.63128
116 3OF1 CMP 3.65854
117 5KZD RCJ 3.75427
118 1LTH NAD 3.76176
119 1ZEI CRS 3.77358
120 2DT5 NAD 3.79147
121 5AOV NAP 3.9039
122 1SC6 NAD 3.9039
123 1WB4 SXX 3.9039
124 4DPL NAP 3.9039
125 4XFR CIT 3.9039
126 4MG7 27H 3.92157
127 2GCG NDP 3.93939
128 1LUA NAP 4.18118
129 3VPH OXM 4.19355
130 1GUZ NAD 4.19355
131 3VPH NAD 4.19355
132 4XB2 NDP 4.2042
133 1E5Q NDP 4.2042
134 3KB6 NAD 4.2042
135 4XB2 HSE 4.2042
136 4XZ3 COA 4.2042
137 5E58 CPZ 4.2042
138 3DLS ADP 4.2042
139 9LDB NAD 4.21687
140 9LDT NAD 4.21687
141 1LDM NAD 4.25532
142 2HJR APR 4.26829
143 1HPG BOC ALA ALA PRO GLU 4.27807
144 3NGL NAP 4.34783
145 2Q46 NAP 4.34783
146 3W6X HZP 4.36681
147 1O5I NAD 4.41767
148 1F74 NAY 4.43686
149 5EES NAP 4.45344
150 2WQ4 SFU 4.48718
151 2ZJ1 ARJ 4.5045
152 2ZJ1 NAD 4.5045
153 1X87 NAD 4.5045
154 5NUF NAD 4.51807
155 5NUE NAD 4.51807
156 5Z2F NAP 4.5283
157 3KCC CMP 4.61538
158 5JE8 NAD 4.63576
159 3AI8 HNQ 4.6875
160 1RM4 NDP 4.8048
161 5L4L NAP 4.93421
162 1T26 NAI 4.96894
163 1T26 GBD 4.96894
164 2A92 NAI 4.98442
165 2F1K NAP 5.01792
166 4JK3 NAD 5.01931
167 4J4H NAI 5.01931
168 4J4H 1J1 5.01931
169 1EBF NAD 5.1051
170 2VHW NAI 5.1051
171 6CEP NAD 5.1051
172 1DRV A3D 5.12821
173 1T0S BML 5.15152
174 6AZQ C5J 5.34351
175 2D2I NAP 5.40541
176 3B20 NAD 5.40541
177 1V8B NAD 5.40541
178 3B1J NAD 5.40541
179 2Q0L NAP 5.46624
180 2DC1 NAD 5.50847
181 3WSG CIT 5.55556
182 4E13 NAD 5.65371
183 5N6C NAD 5.66667
184 3ABI NAD 5.70571
185 4ZGS NAD 5.70571
186 5CX6 CDP 5.70571
187 1NPD NAD 5.90278
188 6AA8 NAD 5.96026
189 1GPJ CIT 6.00601
190 3X01 AMP 6.00601
191 2B4R AES 6.00601
192 2B4R NAD 6.00601
193 5KKA 6V0 6.08974
194 2WHL MAN BMA BMA 6.12245
195 1VMK GUN 6.13718
196 4CQM NAP 6.14754
197 1SQL GUN 6.16438
198 5ZKC 3C0 6.17577
199 6EOM ALA LYS 6.30631
200 2O4C NAD 6.30631
201 1HKU NAD 6.30631
202 2PHX MAN MAN 6.34921
203 2GMP NAG MAN 6.34921
204 5K21 6QF 6.38298
205 1GV0 NAD 6.45161
206 2EV9 NAP 6.46388
207 2EV9 SKM 6.46388
208 2XOC ADP 6.51341
209 1DSS NAD 6.60661
210 4XYB NDP 6.60661
211 1GR0 NAD 6.60661
212 1O6Z NAD 6.60661
213 5YF9 NIO 6.60661
214 1NVT NAP 6.62021
215 5TSU CYS 6.63507
216 5N2I NAP 6.89655
217 2CDU ADP 6.90691
218 2NAD NAD 6.90691
219 1J0X NAD 6.92771
220 5TC4 NAD 6.96203
221 5N53 8NB 7.17949
222 2VYN NAD 7.20721
223 4PLG OXM 7.20721
224 4PLG NAI 7.20721
225 1EZ4 NAD 7.2327
226 2GZ3 NAP 7.50751
227 5ZI2 NAD 7.53623
228 5ZI2 ADP 7.53623
229 1WP4 NDP 7.61246
230 3GFB NAD 7.80781
231 4RQU NAD 7.80781
232 1GZ4 ATP 7.80781
233 2V95 HCY 7.80781
234 1HYE NAP 7.98722
235 1PL6 NAD 8.10811
236 1PL6 572 8.10811
237 1RM0 D6P 8.10811
238 1NYT NAP 8.11808
239 1R37 NAD 8.35735
240 6AC9 ANP 8.40841
241 2V2G BEZ 8.58369
242 1XPJ TLA 8.73016
243 5MTE BB2 8.75912
244 2WCV FUC 9.28571
245 4JCA CIT 9.58084
246 5A1T NAI 9.60961
247 5A1T OXM 9.60961
248 5V3D FCN 9.65517
249 4A0S NAP 9.90991
250 1P77 ATR 9.92647
251 5ZZ6 ADP 10.0962
252 5ZZ6 NAD 10.0962
253 1BXG NAD 10.2102
254 1C1X NAD 10.2102
255 1BW9 NAD 10.2102
256 2VT3 ATP 10.6977
257 1D1T NAD 10.8108
258 1NVM NAD 10.8108
259 2ALG DAO 10.8696
260 5M67 NAD 11.1111
261 5M67 ADE 11.1111
262 5M67 3D1 11.1111
263 5L95 AMP 11.25
264 1E3I CXF 11.4114
265 4A34 FUL 11.5646
266 1WPQ NAD 11.7117
267 1LSS NAD 12.8571
268 1ZEM NAD 12.9771
269 1SAY PYR 13.0194
270 2HK9 ATR 13.4545
271 2HK9 NAP 13.4545
272 2FZW NAD 13.8138
273 2OG2 MLI 14.1141
274 2OUA AES 14.8936
275 2OOR NAD 14.9425
276 5YEC ATP 15.126
277 3B9Q MLI 15.5629
278 2JHF NAD 15.6156
279 3QV1 NAD 15.8537
280 4CS9 AMP 15.873
281 1LLU NAD 16.2162
282 1VM6 NAD 17.1053
283 5H81 NAP 17.2236
284 2J8Z NAP 17.7177
285 4Y1B NAP 17.7177
286 3JYN NDP 17.8462
287 1X7D NAD 18.3183
288 5EIN NAP 18.5185
289 5DOZ NDP 18.6186
290 5FI3 NAP 19.2192
291 1KOL NAD 19.2192
292 3WLE NAD 20.1201
293 1U3U NAD 20.4204
294 1U3U BNF 20.4204
295 1YQD NAP 20.4918
296 4IDC NDP 20.7831
297 4IDC 1XX 20.7831
298 1F8F NAD 21.3213
299 3QWB NDP 21.6216
300 4W6Z 8ID 25.5255
301 1P0F NAP 25.7373
302 5O9F 9ON 25.8258
303 5O9F NAD 25.8258
304 1H2B NAJ 26.7267
305 1YKF NAP 27.6276
306 1N9G NAP 28.2282
307 4WAS COO 28.2282
308 4WAS NAP 28.2282
309 4GKV NAD 28.2738
310 4JBI NDP 29.1291
311 1KEV NDP 29.4294
312 4RVU NDP 30.1205
313 1YB5 NAP 31.2312
314 2DFV NAD 36.9369
315 5DP2 NAP 43.2432
Pocket No.: 3; Query (leader) PDB : 2DM6; Ligand: NAP; Similar sites found with APoc: 90
This union binding pocket(no: 3) in the query (biounit: 2dm6.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1UI0 URA 0.97561
2 3LU1 NAD 1.5015
3 5U5G NAP 1.69492
4 4DE2 DN3 1.90114
5 3AWJ COA 2.1021
6 1DMH MCT 2.2508
7 1X9I G6Q 2.31788
8 5Z75 NAD 2.44648
9 5D4V YGP 2.61194
10 4BE9 7P9 2.7027
11 4U7W NDP 2.7027
12 1WVG APR 2.7027
13 1W3R PYR 2.77778
14 3FIU POP 2.81124
15 1IZO PAM 3.003
16 2PW0 TRC 3.003
17 2HIM ASP 3.003
18 1BXK NAD 3.003
19 1C3V NDP 3.26531
20 3K5I AIR 3.3033
21 2PZI AXX 3.3033
22 1I36 NAP 3.40909
23 1J78 OLA 3.6036
24 5UZ8 GSH 3.6036
25 1GPM AMP 3.6036
26 2Z49 AMG 3.6036
27 4Y9D NAI 3.60656
28 5LPG 71V 3.65854
29 4WNP 3RJ 3.83275
30 6A46 DCM 3.90625
31 4AUA 4AU 3.90879
32 1V6A TRE 3.91566
33 5NE2 DGL 3.95683
34 4XWM CBI 4.2042
35 1TB4 PEJ 4.2042
36 3ITJ CIT 4.2042
37 4Y7E BMA BMA BMA 4.2042
38 2ZAT NAP 4.23077
39 4IXH Q21 4.5045
40 1M3U KPL 4.92424
41 6CEP OXM 5.1051
42 4R5M 4NO 5.1051
43 4R5M NAP 5.1051
44 5UXH GFB 5.1051
45 4MP8 NAD 5.1051
46 4MP8 MLI 5.1051
47 1JAY NAP 5.18868
48 1PJS NAD 5.40541
49 1CF2 NAP 5.40541
50 5N18 8HZ 5.50459
51 1VI2 NAD 5.66667
52 1LVW TYD 5.76271
53 2J5V PCA 6.00601
54 3WXL ADP 6.00601
55 4RD0 GDP 6.00601
56 4FCW ADP 6.10932
57 4I9B 1KA 6.60661
58 5TZO 7V7 6.91489
59 1AE1 NAP 7.32601
60 2QRK AMP 7.50751
61 1Z82 NDP 7.50751
62 1NC2 DOE 7.90698
63 1NC4 DOF 7.90698
64 3LN9 FLC 7.91367
65 43CA NPO 7.9646
66 1UXG FUM 8.09062
67 1UXG NAD 8.09062
68 5X20 NAD 8.33333
69 1WDK NAD 8.40841
70 3HQP FDP 8.40841
71 2YGM GLA NAG GAL FUC 9.00901
72 4LZB URA 9.2437
73 2BGM NAJ 9.35252
74 4R8L ASP 9.90991
75 2D3M COA 9.90991
76 1XVB BHL BHL 10
77 2YVJ NAI 10.0917
78 3B8I OXL 10.1045
79 1C1D PHE 10.2102
80 1VRP IOM 10.2102
81 1VBO MAN 11.4094
82 3RFV NAI 11.6105
83 2VL8 CTS 12.012
84 2JL1 NAP 13.9373
85 4MA6 28E 14.0127
86 4O0L NDP 14.1818
87 1XG5 NAP 15.7706
88 1F06 NDP 15.9375
89 5TED SKM 16.3717
90 3A06 NDP 20.4204
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