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Receptor
PDB id Resolution Class Description Source Keywords
2C29 1.81 Å EC: 1.1.1.219 STRUCTURE OF DIHYDROFLAVONOL REDUCTASE FROM VITIS VINIFERA AT 1.8 A. VITIS VINIFERA FLAVONOIDS SHORT DEHYDROGENASE REDUCTASE NADPH DIHYDROQUERCETIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF GRAPE DIHYDROFLAVONOL 4-REDUCTASE, A KEY ENZYME IN FLAVONOID BIOSYNTHESIS. J.MOL.BIOL. V. 368 1345 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DQH D:1331;
F:1332;
Valid;
Valid;
none;
none;
submit data
304.252 C15 H12 O7 c1cc(...
NAP D:1330;
F:1331;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C29 1.81 Å EC: 1.1.1.219 STRUCTURE OF DIHYDROFLAVONOL REDUCTASE FROM VITIS VINIFERA AT 1.8 A. VITIS VINIFERA FLAVONOIDS SHORT DEHYDROGENASE REDUCTASE NADPH DIHYDROQUERCETIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF GRAPE DIHYDROFLAVONOL 4-REDUCTASE, A KEY ENZYME IN FLAVONOID BIOSYNTHESIS. J.MOL.BIOL. V. 368 1345 2007
Members (2)
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+]....
70% Homology Family (2)
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+]....
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: DQH; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DH2 1 1
2 DQH 1 1
3 28E 0.434783 0.875
4 KXN 0.434783 0.875
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 : 2C29; Ligand: NAP; Similar sites found with APoc: 679
This union binding pocket(no: 1) in the query (biounit: 2c29.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1ONI BEZ None
3 1JCM 137 0.772201
4 1LC3 NAD 1.02041
5 2AG8 NAP 1.14068
6 1LPD ADE 1.1811
7 1V6A TRE 1.20482
8 2B4R AES 1.48368
9 5GWE GWM 1.48368
10 2B4R NAD 1.48368
11 1RJW ETF 1.48368
12 6AYI C3G 1.50754
13 5X20 NAD 1.60256
14 1GV0 NAD 1.6129
15 3D3W NAP 1.63934
16 1PR9 NAP 1.63934
17 4JEJ 1GP 1.63934
18 5N6C NAD 1.66667
19 2AWN ADP 1.78042
20 4RQU NAD 1.78042
21 5W3Y ACO 1.78042
22 3HQ9 OXL 1.78042
23 1GCK ASP PLP 1.78042
24 5A6B OAN 1.78042
25 2IXB NAD 1.78042
26 5JAQ NAI 1.78042
27 1J0X NAD 1.80723
28 2A92 NAI 1.86916
29 4D3F NAP 1.93548
30 2Q2V NAD 1.96078
31 1W6U NAP 1.98676
32 1W8D NAP 1.98676
33 1W73 NAP 1.98676
34 5FEU NAP 2.06186
35 1WP4 NDP 2.07612
36 2CVZ NDP 2.07612
37 1F8G NAD 2.07715
38 2DFV NAD 2.07715
39 1LVL NAD 2.07715
40 4OCV NDG 2.07715
41 4GKV NAD 2.07715
42 1H9A NAP 2.07715
43 2BRY FAD 2.07715
44 2HMT NAI 2.08333
45 1RPJ ALL 2.08333
46 6CEP NAD 2.09581
47 6CEP OXM 2.09581
48 4E13 NAD 2.12014
49 4E5N NAD 2.12121
50 1SOW NAD 2.13415
51 2BGM MAX 2.15827
52 2BGM NAJ 2.15827
53 4FC7 COA 2.16606
54 4FC7 NAP 2.16606
55 1BDB NAD 2.16606
56 2PD4 NAD 2.18182
57 2PD4 DCN 2.18182
58 1KYQ NAD 2.18978
59 5N26 CPT 2.1978
60 4ZU3 4SD 2.20264
61 4UP3 NDP 2.2293
62 1E3W NAD 2.29885
63 5FFF NAP 2.33463
64 5FFF 5XC 2.33463
65 1G6H ADP 2.33463
66 2PV7 NAD 2.34899
67 1XHL NDP 2.3569
68 2OZ5 7XY 2.36486
69 1PL6 NAD 2.37389
70 3H9E NAD 2.37389
71 4R5M NAP 2.37389
72 5CX8 TG6 2.37389
73 1BW9 NAD 2.37389
74 6EL3 NAP 2.37389
75 1PL6 572 2.37389
76 1YS4 NAP 2.37389
77 1SAY PYR 2.37389
78 2W8Q SIN 2.37389
79 1C1X NAD 2.37389
80 1BXG NAD 2.37389
81 4R5M 4NO 2.37389
82 4MP8 MLI 2.37389
83 4MP8 NAD 2.37389
84 1D1T NAD 2.37389
85 3H5N ATP 2.37389
86 5ENZ UDP 2.37389
87 4XYB NDP 2.37389
88 2B5W NAP 2.37389
89 4PLG OXM 2.39521
90 4PLG NAI 2.39521
91 3KB6 NAD 2.39521
92 2EWM NAD 2.40964
93 1PZG A3D 2.41692
94 4URF NAD 2.41935
95 2JAH NDP 2.42915
96 1C3V NDP 2.44898
97 4TQG NDP 2.47678
98 6AYH C3G 2.48756
99 3OA2 NAD 2.51572
100 1W6F ISZ 2.51799
101 1MXH DHF 2.53623
102 1MXH NAP 2.53623
103 5KKA 6V0 2.5641
104 1YJQ NAP 2.64026
105 3L9W AMP 2.67062
106 5LD5 NAD 2.67062
107 3B20 NAD 2.67062
108 2D2I NAP 2.67062
109 3B1J NAD 2.67062
110 4DPL NAP 2.67062
111 2I3G NAP 2.67062
112 1RM0 D6P 2.67062
113 5WCZ NOJ 2.67062
114 1KEV NDP 2.67062
115 1RM0 NAI 2.67062
116 3GMB FAD 2.67062
117 1J49 NAD 2.7027
118 4IDC 1XX 2.71084
119 4IDC NDP 2.71084
120 1ZTH ADP 2.71318
121 1ZP9 ATP 2.71318
122 4PLT NAI 2.71903
123 4PLT OXM 2.71903
124 3WV8 ATP 2.75229
125 4FN4 NAD 2.75591
126 4OHU 2TK 2.76817
127 4OHU NAD 2.76817
128 2NU8 COA 2.77778
129 1OMO NAD 2.79503
130 2G5C NAD 2.84698
131 3QVL 5HY 2.85714
132 3O26 NDP 2.89389
133 5T9E NAP 2.95203
134 3ICS ADP 2.96736
135 3ICT ADP 2.96736
136 1MUU NAD 2.96736
137 1MV8 NAD 2.96736
138 3V1U NAD 2.96736
139 6C4T NA7 2.96736
140 1PJS NAD 2.96736
141 1EBF NAD 2.96736
142 2QK4 ATP 2.96736
143 2VHW NAI 2.96736
144 3NB0 G6P 2.96736
145 4EUE NAI 2.96736
146 4TXI FAD 2.96736
147 6HDT BTN 3.00752
148 3PLS ANP 3.02013
149 4DVE BTN 3.0303
150 3GLC R5P 3.05085
151 5EPO TUD 3.05344
152 5EPO NAP 3.05344
153 1NFQ NAI 3.07692
154 3H8V ATP 3.08219
155 4JK3 NAD 3.0888
156 1A27 NAP 3.11419
157 5X80 SAL 3.125
158 3PN1 IVH 3.14465
159 1HDC CBO 3.14961
160 4O1M NAD 3.1746
161 3GGO NAI 3.18471
162 3GGO ENO 3.18471
163 3ORF NAD 3.18725
164 4NBU NAI 3.2
165 5EES NAP 3.23887
166 1ML4 PAL 3.24675
167 5TVI MYR 3.26087
168 5OJL TXP 3.2641
169 1U1I NAD 3.2641
170 3K5I AIR 3.2641
171 3LJU IP9 3.2641
172 4F06 PHB 3.2641
173 4WOE ADP 3.2641
174 5A04 BGC 3.2641
175 1PS9 NAP 3.2641
176 5A04 NDP 3.2641
177 1ZH8 NAP 3.2641
178 3L4S NAD 3.27381
179 3L4S 3PG 3.27381
180 1NYT NAP 3.32103
181 1VI2 NAD 3.33333
182 2HJR APR 3.35366
183 5L53 NAP 3.39506
184 5UAV NDP 3.41615
185 5UAV TFB 3.41615
186 5OCM NAP 3.43643
187 4QM9 CYS 3.46821
188 1NPD NAD 3.47222
189 6CI9 NAP 3.4749
190 6CI9 F3V 3.4749
191 3OQJ 3CX 3.50195
192 1HYE NAP 3.51438
193 5OVK NDP 3.51562
194 2Q0L NAP 3.53698
195 3V1Y NAD 3.56083
196 4OJP MAL 3.56083
197 5F8F SFG 3.56083
198 1VKO NAD 3.56083
199 5Z20 NAI 3.56083
200 4B7X NAP 3.57143
201 4XB2 NDP 3.58209
202 4XB2 HSE 3.58209
203 5L95 AMP 3.58423
204 5XVH NAP 3.59477
205 5V6F MAN BMA MAN 3.62319
206 1NW4 IMH 3.62319
207 2VYN NAD 3.62538
208 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.63289
209 1GAD NAD 3.63636
210 5JE8 NAD 3.64238
211 1UZN NAP 3.64372
212 2JAP NDP 3.64372
213 2JAP J01 3.64372
214 1B8U NAD 3.64742
215 1B8U OAA 3.64742
216 4HXY NDP 3.65297
217 6F9Q NAD 3.67647
218 1EDO NAP 3.68852
219 4Q9N NAI 3.69128
220 5Y8L NAD 3.72881
221 1FWV SGA MAG FUC 3.73134
222 1SNY NAP 3.74532
223 1ORR NAD 3.7464
224 1F06 NDP 3.75
225 5Z2F NAP 3.77358
226 3B1F NAD 3.7931
227 2EV9 SKM 3.80228
228 2EV9 NAP 3.80228
229 3ABI NAD 3.85757
230 2V6G NAP 3.85757
231 3ULK NDP 3.85757
232 5HV7 RBL 3.85757
233 1YFS ALA 3.85757
234 5E4R NAP 3.85757
235 5AYV NAP 3.8835
236 4R81 FMN 3.8835
237 4KOA NDP 3.9039
238 6BII NAP 3.9039
239 3ZV6 4HB 3.91459
240 3ZV6 NAD 3.91459
241 3W5J GDP 3.92157
242 5X9D 80F 3.94737
243 1LDM NAD 3.95137
244 1V35 NAI 3.95137
245 2CVQ NDP 3.97554
246 1GZ6 NAI 4.07523
247 2XYQ SAH 4.09836
248 2GDZ NAD 4.11985
249 3GFB NAD 4.1543
250 1X87 NAD 4.1543
251 5ZI2 NAD 4.1543
252 5ZI2 ADP 4.1543
253 1ELI PYC 4.1543
254 1P0F NAP 4.1543
255 4W6Z 8ID 4.1543
256 3H4V NAP 4.16667
257 3H4V DVP 4.16667
258 4Z0H NAD 4.19162
259 4OM8 NAD 4.20712
260 1UXG NAD 4.20712
261 1UXG FUM 4.20712
262 2WYV NAD 4.21456
263 1X14 NAD 4.2394
264 3WBF NAP 4.2623
265 3WBF API 4.2623
266 1FK8 NAD 4.28016
267 1LSS NAD 4.28571
268 4RW3 TDA 4.30464
269 3RJ5 NAD 4.33071
270 2RH4 EMO 4.33213
271 5I7S E9P 4.34783
272 5I7S NAD 4.34783
273 5DP2 NAP 4.38596
274 1AE1 NAP 4.3956
275 4YCA NDP 4.42177
276 2IZ1 ATR 4.45104
277 6A3J NAI 4.45104
278 1GQ2 NAP 4.45104
279 4ITU 1HS 4.46097
280 4ITU NAI 4.46097
281 3BAZ NAP 4.5045
282 1HDG NAD 4.51807
283 5WUW NAP 4.52962
284 1W8S FBP 4.56274
285 2YVJ NAI 4.58716
286 5CG1 NAD BBN 4.59016
287 5GZ6 NDP 4.60123
288 5GZ6 7C3 4.60123
289 5B4T NAD 4.61538
290 5B4T 3HR 4.61538
291 1E6W NAD 4.61538
292 1BG2 ADP 4.61538
293 5LOG LDP 4.72103
294 1XSE NDP 4.74576
295 5U5G NAP 4.74576
296 3W5N RAM 4.74777
297 5MLR GRQ 4.74777
298 5MLR NAP 4.74777
299 4JBI NDP 4.74777
300 1VM6 NAD 4.74777
301 1E3I CXF 4.74777
302 1F8F NAD 4.74777
303 5E70 RCD 4.74777
304 1O0S NAI 4.74777
305 1GZ4 ATP 4.74777
306 1DRV A3D 4.7619
307 5T9F TYR 4.79705
308 5T9F NAP 4.79705
309 1DSS NAD 4.8048
310 3O03 NAP 4.811
311 2GLX NDP 4.81928
312 1ZBQ NAD 4.89297
313 5CXI 5TW 4.92611
314 1G0N NDP 4.947
315 1G0N PHH 4.947
316 4D42 W0I 4.96454
317 4D42 NAP 4.96454
318 5OJI NAP 5
319 5OJI ISN 5
320 2ZAT NAP 5
321 4U7W NDP 5.04451
322 2CDU ADP 5.04451
323 4X1B MLI 5.04451
324 4ZGS NAD 5.04451
325 1DJN ADP 5.04451
326 4XDY NAI 5.04451
327 1O94 ADP 5.04451
328 5FI3 NAP 5.04451
329 1J78 VDY 5.04451
330 3OJF IMJ 5.05837
331 3OJF NDP 5.05837
332 2B4Q NAP 5.07246
333 5YSS NAD 5.07812
334 2HK9 ATR 5.09091
335 2HK9 NAP 5.09091
336 3ICC NAP 5.09804
337 4IXW IXW 5.11811
338 9LDB NAD 5.12048
339 9LDT NAD 5.12048
340 1HYH NAD 5.17799
341 3HB5 NAP 5.19878
342 3HB5 E2B 5.19878
343 1NVT NAP 5.22648
344 5YAP 8S0 5.26316
345 5YAP NAI 5.26316
346 4ONC 40B 5.28169
347 1TI7 NAP 5.34125
348 3OJO NAD 5.34125
349 5Z21 NAI 5.34125
350 1UP7 NAD 5.34125
351 2Y65 ADP 5.34125
352 1GEE NAD 5.36398
353 1QG6 NAD 5.36398
354 1QG6 TCL 5.36398
355 1UAY ADN 5.3719
356 3A28 NAD 5.42636
357 3AY6 BGC 5.57621
358 3AY6 NAI 5.57621
359 1O6Z NAD 5.61056
360 1VL8 NAP 5.61798
361 5MSO NAP 5.63798
362 4PIV NDP 5.63798
363 2ZR9 DTP 5.63798
364 3TWO NDP 5.63798
365 1QMG APX 5.63798
366 1U8X NAD 5.63798
367 1HKU NAD 5.63798
368 1YKD CMP 5.63798
369 3OIG NAD 5.6391
370 1H5Q NAP 5.66038
371 2QZZ EMF 5.66038
372 2QZZ NAP 5.66038
373 5Z2L NDP 5.71429
374 1GUZ NAD 5.80645
375 4O0L NDP 5.81818
376 4NBW NAD 5.83658
377 4RF2 NAP 5.88235
378 5YEC ATP 5.88235
379 5JDI NAP 5.90278
380 5K6A NAP 5.90278
381 4CM9 NAP 5.90278
382 4CLR NAP 5.90278
383 4CMI NAP 5.90278
384 3BMN NAP 5.90278
385 3BMQ NAP 5.90278
386 3BMO NAP 5.90278
387 4CM4 NAP 5.90278
388 5JCJ NAP 5.90278
389 4CM8 NAP 5.90278
390 3JQF NAP 5.90278
391 3JQG NAP 5.90278
392 5JDC NAP 5.90278
393 3JQ9 NAP 5.90278
394 3JQA NAP 5.90278
395 3JQ7 NAP 5.90278
396 4CME NAP 5.90278
397 3JQB NAP 5.90278
398 3JQ8 NAP 5.90278
399 4CLO NAP 5.90278
400 4CME KTZ 5.90278
401 5JDC 6JP 5.90278
402 5JDI 6JO 5.90278
403 4CLR FDB 5.90278
404 3JQB DX6 5.90278
405 3JQ9 AX1 5.90278
406 4CM8 IZ9 5.90278
407 1YXM ADE 5.94059
408 4BVA NDP 5.97015
409 4ZVV NAD 6.0241
410 4ZVV GN0 6.0241
411 3QV1 NAD 6.09756
412 1HDR NAD 6.14754
413 4MDB RLT 6.22222
414 5DF1 58X 6.23145
415 5DF1 NAP 6.23145
416 3I6I NDP 6.23145
417 2GZ3 NAP 6.23145
418 5XDR ADP 6.23145
419 1P77 ATR 6.25
420 1LUA NAP 6.27178
421 5O98 NAP 6.30915
422 2OOR NAD 6.32184
423 1CER NAD 6.34441
424 3DTU DXC 6.52819
425 3CIF NAD 6.52819
426 3CIF G3H 6.52819
427 6C4N NAP 6.52819
428 5DN9 NAD 6.52819
429 5AOV NAP 6.54762
430 2BD0 NAP 6.55738
431 2BD0 BIO 6.55738
432 4U00 ADP 6.55738
433 3OID NDP 6.58915
434 3VZS NAP 6.61479
435 3VZS CAA 6.61479
436 6AA8 NAD 6.62252
437 3QWI CUE 6.66667
438 3QWI NAP 6.66667
439 1E5Q NDP 6.82493
440 1T9D PYD 6.82493
441 3S5W NAP 6.82493
442 3S5W FAD 6.82493
443 1VL0 NAI 6.84932
444 2DBZ NAP 6.88623
445 1U7T TDT 6.89655
446 1U7T NAD 6.89655
447 1A5Z NAD 6.89655
448 3H2B SAH 6.89655
449 2AG5 NAD 6.91057
450 4GGZ BTN 6.95652
451 5Y1G AKB 7.0122
452 5Y1G NAD 7.0122
453 4ZA2 NAD 7.11462
454 5CAE COA 7.12166
455 3EJ0 11X 7.14286
456 4MDH NAD 7.18563
457 2DTX BMA 7.19697
458 5MDH NAD 7.20721
459 4Y9D NAI 7.21311
460 4OSP 2V4 7.22433
461 4OSP NAP 7.22433
462 3B12 FAH 7.23684
463 1NM5 NAD 7.38916
464 1D7O TCL 7.40741
465 1D7O NAD 7.40741
466 3EW2 BTN 7.40741
467 1LTH NAD 7.52351
468 2DT5 NAD 7.58294
469 5GT9 NAP 7.60456
470 1WMA AB3 7.6087
471 1WMA NDP 7.6087
472 1NVM NAD 7.71513
473 1OBB NAD 7.71513
474 3VPH NAD 7.74194
475 3VPH OXM 7.74194
476 4YEE 4CQ 7.77778
477 1Z6Z NAP 7.80142
478 3SJ7 NDP 7.93651
479 4KWI 1TJ 7.98479
480 4KWI NAP 7.98479
481 5XWV 8H6 8.01187
482 5XWV NDP 8.01187
483 4J7U YTZ 8.01187
484 4J7U NAP 8.01187
485 1RM4 NDP 8.01187
486 4TR9 ASP TRP ASN 8.01187
487 2JHP SAH 8.01187
488 5YU3 NAD 8.01187
489 5YU3 PRO 8.01187
490 3RKR NAP 8.01527
491 2FR1 NDP 8.02469
492 1NWW HPN 8.05369
493 3AFN NAP 8.13953
494 4CJX NAP 8.15047
495 2UVO NAG 8.18713
496 5D4V SAH 8.20895
497 3EB9 FLC 8.27068
498 1IGW PYR 8.30861
499 1CF2 NAP 8.30861
500 4D79 ATP 8.33333
501 4JP3 CIT 8.3682
502 5O42 BGC 8.39416
503 5O42 9JW 8.39416
504 5O42 NAD 8.39416
505 2X6T NAP 8.40336
506 1JAY NAP 8.49057
507 3SJU NDP 8.60215
508 1KEW NAD 8.60534
509 1KEW TYD 8.60534
510 5UR0 NAD 8.60534
511 1CDO NAD 8.60534
512 5DOZ NDP 8.60534
513 2Y6Q FAD 8.60534
514 2BKA NDP 8.67769
515 1J5P NAD 8.69565
516 4CC6 L5Y 8.80503
517 5H81 NAP 8.90208
518 5YSN 5AD 8.90208
519 1EQ2 NAP 9.03226
520 4O4Z N2O 9.09091
521 5A1T NAI 9.19881
522 5A1T OXM 9.19881
523 3A06 NDP 9.19881
524 4TSK NDP 9.19881
525 3A06 FOM 9.19881
526 5OOH NAP 9.2233
527 5OOH 9ZZ 9.2233
528 2FKA BEF 9.30233
529 6A0S NDP 9.33735
530 6A0S HSE 9.33735
531 1I36 NAP 9.4697
532 1TB4 PEJ 9.49555
533 4A0S NAP 9.49555
534 5L4S 6KX 9.74843
535 5L4S NAP 9.74843
536 1SC6 NAD 9.79228
537 1KSK URA 9.82906
538 2WSB NAD 9.84252
539 4NBT NAD 10
540 1OC2 NAD 10.089
541 1OC2 TDX 10.089
542 1N7G NDP 10.089
543 1N7G GDR 10.089
544 3RV5 DXC 10.1124
545 5L8L ADP 10.2564
546 1NU4 MLA 10.3093
547 1ZK4 NAP 10.3586
548 1ZK4 AC0 10.3586
549 1RPN NDP 10.3858
550 5IN4 GDP 10.3858
551 5IN4 6CK 10.3858
552 5IN4 NAP 10.3858
553 5BJX NAD 10.3858
554 5BJX UDP 10.3858
555 5ZZ6 ADP 10.5769
556 5ZZ6 NAD 10.5769
557 5WQP NCA 10.6838
558 5WQP NAP 10.6838
559 1XG5 NAP 10.7527
560 1JW0 GUA 10.7595
561 5N2I NAP 10.7759
562 5G4L NDP 10.8392
563 1GEG NAD 10.9375
564 1Z45 NAD 10.9792
565 1H2B NAJ 10.9792
566 1IY8 NAD 11.236
567 1WDK NAD 11.276
568 3NUG NAD 11.336
569 3QPB URA 11.3475
570 2AE2 PTO 11.5385
571 2AE2 NAP 11.5385
572 2DKN NAI 11.7647
573 4YAG NAI 11.7647
574 3C1O NAP 11.838
575 1I2B UPG 11.8694
576 1I2B USQ 11.8694
577 1I2B NAD 11.8694
578 5THQ NDP 12.1324
579 1R37 NAD 12.1662
580 4IAW LIZ 12.234
581 2Q46 NAP 12.253
582 1OAA OAA 12.3552
583 3DRA GRG 12.4183
584 3TN7 NJP 12.4514
585 6G1O GLV 12.4629
586 3AI3 SOL 12.5475
587 2VT3 ATP 12.5581
588 2VZ0 D64 12.6866
589 2VZ0 NAP 12.6866
590 2CFC NAD 12.8
591 2JL1 NAP 12.892
592 1EZ4 NAD 12.8931
593 4QED NAP 13.3065
594 5T2U NAP 13.3065
595 5EJ2 NAD 13.3117
596 1NNU TCT 13.3333
597 1NNU NAD 13.3333
598 1BXK NAD 13.3531
599 3GEG NAD 13.3603
600 2WD7 NAP 13.4328
601 2WD7 VGD 13.4328
602 1X1T NAD 13.4615
603 1N5D NDP 13.5417
604 2DC1 NAD 13.5593
605 1LDN NAD 13.6076
606 1X7D NAD 13.9466
607 1X7D ORN 13.9466
608 4L8V NAP 13.9466
609 2F1K NAP 14.6953
610 5GWT SIN 14.7482
611 5GWT NAD 14.7482
612 1O5I NAD 14.8594
613 3WXB NDP 15.0538
614 5OVL NAP 15.6667
615 4Z28 BTN 15.6716
616 1LLU NAD 15.727
617 4J1Q NDP 16.0237
618 5L4L 7OX 16.1184
619 5L4L NAP 16.1184
620 4YAC NAI 16.1616
621 1E7S NAP 16.1994
622 2GN4 UD1 16.6172
623 2GN4 NDP 16.6172
624 2C5A GDC 16.6172
625 2C5A NAD 16.6172
626 1XKQ NDP 16.7857
627 1RKX NAD 16.9139
628 1UDB UFG 16.9139
629 1UDB NAD 16.9139
630 1WVG APR 16.9139
631 1SB8 UD2 17.2107
632 1SB8 NAD 17.2107
633 4G5H UD7 17.5074
634 4G5H NAP 17.5074
635 3A4V NAD 17.6656
636 3A4V PYR 17.6656
637 2YY7 NAD 18.2692
638 1GY8 NAD 18.3976
639 5F5N NAD 19.0311
640 1Q7B NAP 19.2623
641 3RFV NAI 20.5993
642 3RFV 15L 20.5993
643 3CH6 NAP 20.6294
644 3CH6 311 20.6294
645 1EK6 NAI 21.6617
646 1EK6 UPG 21.6617
647 5K4W THR 22.1184
648 5K4W NAI 22.1184
649 1ZEM NAD 22.1374
650 3LU1 NAD 22.2552
651 1PZ4 PLM 22.4138
652 5NUF NAD 22.5904
653 5NUE NAD 22.5904
654 4CQM NAP 22.9508
655 1JA9 PYQ 23.7226
656 1JA9 NDP 23.7226
657 4K26 SFF 24.6377
658 4K26 NDP 24.6377
659 2EXX NAP 25.1634
660 2VUT NAD 25.5814
661 1R6D DAU 25.816
662 1R6D NAD 25.816
663 3KO8 NAD 26.2821
664 3U4C NDP 28.4698
665 2PK3 A2R 30.8605
666 6DNT NAD 32.6409
667 4GLL NAD 32.9377
668 2PZM UDP 35.1515
669 2PZM NAD 35.1515
670 3WMX NAD 35.6083
671 6BWL NAD 36.8902
672 2Q1W NAD 38.4384
673 5Z75 NAD 39.1437
674 2Q1S NAI 40.0593
675 5ZEC NAP 40.3561
676 1Y1P NMN AMP PO4 41.2463
677 4PVD NDP 42.1365
678 4ZRN UPG 44.2308
679 4ZRN NAD 44.2308
Pocket No.: 2; Query (leader) PDB : 2C29; Ligand: DQH; Similar sites found with APoc: 602
This union binding pocket(no: 2) in the query (biounit: 2c29.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5B09 4MX None
3 1ONI BEZ None
4 1JCM 137 0.772201
5 2AG8 NAP 1.14068
6 1LPD ADE 1.1811
7 1V6A TRE 1.20482
8 2B4R AES 1.48368
9 2B4R NAD 1.48368
10 5GWE GWM 1.48368
11 1RJW ETF 1.48368
12 6AYI C3G 1.50754
13 1GV0 NAD 1.6129
14 3D3W NAP 1.63934
15 1PR9 NAP 1.63934
16 2AWN ADP 1.78042
17 5W3Y ACO 1.78042
18 4RQU NAD 1.78042
19 3HQ9 OXL 1.78042
20 5A6B OAN 1.78042
21 5JAQ NAI 1.78042
22 1J0X NAD 1.80723
23 2A92 NAI 1.86916
24 5CK5 GDP 1.89873
25 4D3F NAP 1.93548
26 2Q2V NAD 1.96078
27 1W6U NAP 1.98676
28 1W8D NAP 1.98676
29 1W73 NAP 1.98676
30 5FEU NAP 2.06186
31 1WP4 NDP 2.07612
32 1F8G NAD 2.07715
33 1LVL NAD 2.07715
34 4OCV NDG 2.07715
35 2DFV NAD 2.07715
36 2HMT NAI 2.08333
37 1RPJ ALL 2.08333
38 6CEP NAD 2.09581
39 6CEP OXM 2.09581
40 4E13 NAD 2.12014
41 1SOW NAD 2.13415
42 2BGM MAX 2.15827
43 2BGM NAJ 2.15827
44 4FC7 NAP 2.16606
45 4FC7 COA 2.16606
46 1BDB NAD 2.16606
47 2PD4 NAD 2.18182
48 2PD4 DCN 2.18182
49 1KYQ NAD 2.18978
50 5N26 CPT 2.1978
51 4ZU3 4SD 2.20264
52 4UP3 NDP 2.2293
53 1E3W NAD 2.29885
54 5FFF NAP 2.33463
55 5FFF 5XC 2.33463
56 1G6H ADP 2.33463
57 2PV7 NAD 2.34899
58 1XHL NDP 2.3569
59 2OZ5 7XY 2.36486
60 3H9E NAD 2.37389
61 5CX8 TG6 2.37389
62 6EL3 NAP 2.37389
63 1YS4 NAP 2.37389
64 3TY3 GGG 2.37389
65 1PL6 NAD 2.37389
66 4R5M NAP 2.37389
67 3H5N ATP 2.37389
68 1BW9 NAD 2.37389
69 1PL6 572 2.37389
70 5ENZ UDP 2.37389
71 4B98 PXG 2.37389
72 1SAY PYR 2.37389
73 1BXG NAD 2.37389
74 4PLG OXM 2.39521
75 4PLG NAI 2.39521
76 2EWM NAD 2.40964
77 1PZG A3D 2.41692
78 4URF NAD 2.41935
79 2JAH NDP 2.42915
80 1C3V NDP 2.44898
81 4TQG NDP 2.47678
82 6AYH C3G 2.48756
83 3OA2 NAD 2.51572
84 1MXH DHF 2.53623
85 1MXH NAP 2.53623
86 5KKA 6V0 2.5641
87 1YJQ NAP 2.64026
88 3L9W AMP 2.67062
89 5LD5 NAD 2.67062
90 2D2I NAP 2.67062
91 3B20 NAD 2.67062
92 1RM0 D6P 2.67062
93 3B1J NAD 2.67062
94 5WCZ NOJ 2.67062
95 4DPL NAP 2.67062
96 1RM0 NAI 2.67062
97 1J49 NAD 2.7027
98 1ZP9 ATP 2.71318
99 1ZTH ADP 2.71318
100 4PLT OXM 2.71903
101 4PLT NAI 2.71903
102 3WV8 ATP 2.75229
103 4FN4 NAD 2.75591
104 4OHU NAD 2.76817
105 4OHU 2TK 2.76817
106 1KPG 16A 2.78746
107 1OMO NAD 2.79503
108 2G5C NAD 2.84698
109 3O26 NDP 2.89389
110 5T9E NAP 2.95203
111 3ICS ADP 2.96736
112 3ICT ADP 2.96736
113 6C4T NA7 2.96736
114 4EUE NAI 2.96736
115 2QK4 ATP 2.96736
116 3V1U NAD 2.96736
117 3CV2 OXL 2.96736
118 1MUU NAD 2.96736
119 1MV8 NAD 2.96736
120 3NB0 G6P 2.96736
121 2VHW NAI 2.96736
122 1PJS NAD 2.96736
123 1EBF NAD 2.96736
124 6HDT BTN 3.00752
125 3PLS ANP 3.02013
126 4DVE BTN 3.0303
127 3GLC R5P 3.05085
128 5EPO NAP 3.05344
129 5EPO TUD 3.05344
130 1NFQ NAI 3.07692
131 3H8V ATP 3.08219
132 1A27 NAP 3.11419
133 5X80 SAL 3.125
134 1HDC CBO 3.14961
135 4O1M NAD 3.1746
136 3GGO NAI 3.18471
137 3GGO ENO 3.18471
138 3ORF NAD 3.18725
139 4NBU NAI 3.2
140 5EES NAP 3.23887
141 5TVI MYR 3.26087
142 1U1I NAD 3.2641
143 3LJU IP9 3.2641
144 5OJL TXP 3.2641
145 1VJT NAD 3.2641
146 4WOE ADP 3.2641
147 5KR7 6X9 3.2641
148 1ZH8 NAP 3.2641
149 3L4S NAD 3.27381
150 3L4S 3PG 3.27381
151 1NYT NAP 3.32103
152 2HJR APR 3.35366
153 5L53 NAP 3.39506
154 5OCM NAP 3.43643
155 6CI9 F3V 3.4749
156 6CI9 NAP 3.4749
157 1HYE NAP 3.51438
158 5OVK NDP 3.51562
159 2Q0L NAP 3.53698
160 3V1Y NAD 3.56083
161 4OJP MAL 3.56083
162 1VKO NAD 3.56083
163 5F8F SFG 3.56083
164 4OAV ACP 3.56083
165 4XB2 NDP 3.58209
166 4XB2 HSE 3.58209
167 5L95 AMP 3.58423
168 5XVH NAP 3.59477
169 2VYN NAD 3.62538
170 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.63289
171 1GAD NAD 3.63636
172 5JE8 NAD 3.64238
173 1UZN NAP 3.64372
174 2JAP NDP 3.64372
175 2JAP J01 3.64372
176 1B8U NAD 3.64742
177 1B8U OAA 3.64742
178 4HXY NDP 3.65297
179 6F9Q NAD 3.67647
180 1EDO NAP 3.68852
181 4Q9N NAI 3.69128
182 1SNY NAP 3.74532
183 1ORR NAD 3.7464
184 3B1F NAD 3.7931
185 2V6G NAP 3.85757
186 3ABI NAD 3.85757
187 1YFS ALA 3.85757
188 4R81 FMN 3.8835
189 4KOA NDP 3.9039
190 3ZV6 4HB 3.91459
191 3ZV6 NAD 3.91459
192 5X9D 80F 3.94737
193 1V35 NAI 3.95137
194 2CVQ NDP 3.97554
195 1GZ6 NAI 4.07523
196 2XYQ SAH 4.09836
197 2GDZ NAD 4.11985
198 1ELI PYC 4.1543
199 3GFB NAD 4.1543
200 5ZI2 NAD 4.1543
201 1X87 NAD 4.1543
202 5ZI2 ADP 4.1543
203 3H4V NAP 4.16667
204 3H4V DVP 4.16667
205 4Z0H NAD 4.19162
206 4OM8 NAD 4.20712
207 3IX9 MTX 4.21053
208 4NSQ COA 4.21053
209 2WYV NAD 4.21456
210 1X14 NAD 4.2394
211 3WBF NAP 4.2623
212 3WBF API 4.2623
213 1FK8 NAD 4.28016
214 1LSS NAD 4.28571
215 4RW3 TDA 4.30464
216 3RJ5 NAD 4.33071
217 2RH4 EMO 4.33213
218 5I7S E9P 4.34783
219 5I7S NAD 4.34783
220 5DP2 NAP 4.38596
221 1AE1 NAP 4.3956
222 2BOS GLA GAL GLC 4.41176
223 2BOS GLA GAL 4.41176
224 4YCA NDP 4.42177
225 2IZ1 ATR 4.45104
226 6A3J NAI 4.45104
227 4ITU 1HS 4.46097
228 4ITU NAI 4.46097
229 2WMC MGP 4.49438
230 3BAZ NAP 4.5045
231 1HDG NAD 4.51807
232 5WUW NAP 4.52962
233 1W8S FBP 4.56274
234 2YVJ NAI 4.58716
235 5CG1 NAD BBN 4.59016
236 5GZ6 NDP 4.60123
237 5GZ6 7C3 4.60123
238 1E6W NAD 4.61538
239 5B4T NAD 4.61538
240 5B4T 3HR 4.61538
241 1BG2 ADP 4.61538
242 5LOG LDP 4.72103
243 1XSE NDP 4.74576
244 5U5G NAP 4.74576
245 3W5N RAM 4.74777
246 5MLR GRQ 4.74777
247 5MLR NAP 4.74777
248 1VM6 NAD 4.74777
249 5E70 RCD 4.74777
250 1F8F NAD 4.74777
251 4JBI NDP 4.74777
252 1O0S NAI 4.74777
253 4CS9 AMP 4.7619
254 5T9F TYR 4.79705
255 5T9F NAP 4.79705
256 1DSS NAD 4.8048
257 3O03 NAP 4.811
258 2GLX NDP 4.81928
259 1ZBQ NAD 4.89297
260 5CXI 5TW 4.92611
261 1G0N PHH 4.947
262 1G0N NDP 4.947
263 4D42 W0I 4.96454
264 4D42 NAP 4.96454
265 4K6B GLU 4.96894
266 5OJI NAP 5
267 5OJI ISN 5
268 2ZAT NAP 5
269 4U7W NDP 5.04451
270 2CDU ADP 5.04451
271 4XFR CIT 5.04451
272 1J78 VDY 5.04451
273 4ZGS NAD 5.04451
274 3OJF IMJ 5.05837
275 3OJF NDP 5.05837
276 2B4Q NAP 5.07246
277 5YSS NAD 5.07812
278 2HK9 ATR 5.09091
279 2HK9 NAP 5.09091
280 3ICC NAP 5.09804
281 4IXW IXW 5.11811
282 9LDB NAD 5.12048
283 9LDT NAD 5.12048
284 1HYH NAD 5.17799
285 3HB5 NAP 5.19878
286 3HB5 E2B 5.19878
287 1NVT NAP 5.22648
288 4ZVF GAV 5.23256
289 1TI7 NAP 5.34125
290 1UP7 NAD 5.34125
291 3OJO NAD 5.34125
292 2Y65 ADP 5.34125
293 1UP7 G6P 5.34125
294 1GEE NAD 5.36398
295 1QG6 NAD 5.36398
296 1QG6 TCL 5.36398
297 1UAY ADN 5.3719
298 3A28 NAD 5.42636
299 3AY6 BGC 5.57621
300 3AY6 NAI 5.57621
301 1O6Z NAD 5.61056
302 1VL8 NAP 5.61798
303 5MSO NAP 5.63798
304 4PIV NDP 5.63798
305 2ZR9 DTP 5.63798
306 1U8X NAD 5.63798
307 1YKD CMP 5.63798
308 3OIG NAD 5.6391
309 1H5Q NAP 5.66038
310 2QZZ NAP 5.66038
311 2QZZ EMF 5.66038
312 5Z2L NDP 5.71429
313 4Z1D PEP 5.7971
314 1GUZ NAD 5.80645
315 4O0L NDP 5.81818
316 4NBW NAD 5.83658
317 4RF2 NAP 5.88235
318 5YEC ATP 5.88235
319 5JDI NAP 5.90278
320 4CM9 NAP 5.90278
321 5K6A NAP 5.90278
322 4CLR NAP 5.90278
323 4CMI NAP 5.90278
324 3BMQ NAP 5.90278
325 3BMO NAP 5.90278
326 3BMN NAP 5.90278
327 3JQF NAP 5.90278
328 3JQG NAP 5.90278
329 3JQ7 NAP 5.90278
330 4CM8 NAP 5.90278
331 5JCJ NAP 5.90278
332 4CM4 NAP 5.90278
333 4CME NAP 5.90278
334 5JDC NAP 5.90278
335 3JQA NAP 5.90278
336 3JQB NAP 5.90278
337 3JQ9 NAP 5.90278
338 3JQ8 NAP 5.90278
339 4CLO NAP 5.90278
340 3JQA DX4 5.90278
341 5JDC 6JP 5.90278
342 3JQB DX6 5.90278
343 4CME KTZ 5.90278
344 5JDI 6JO 5.90278
345 3JQF AX2 5.90278
346 3JQ9 AX1 5.90278
347 4CM8 IZ9 5.90278
348 4M5P MLA 5.93472
349 1YXM ADE 5.94059
350 4BVA NDP 5.97015
351 4ZVV NAD 6.0241
352 4ZVV GN0 6.0241
353 3QV1 NAD 6.09756
354 1HDR NAD 6.14754
355 5DF1 58X 6.23145
356 5DF1 NAP 6.23145
357 2GZ3 NAP 6.23145
358 3I6I NDP 6.23145
359 5XDR ADP 6.23145
360 1P77 ATR 6.25
361 1LUA NAP 6.27178
362 5O98 NAP 6.30915
363 2OOR NAD 6.32184
364 1CER