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Receptor
PDB id Resolution Class Description Source Keywords
1DIA 2.2 Å EC: 1.5.1.5 HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLA COMPLEXED WITH NADP AND INHIBITOR LY249543 HOMO SAPIENS TETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE NADP INHIBROSSMANN FOLD OXIDOREDUCTASE HYDROLASE
Ref.: STRUCTURES OF THREE INHIBITOR COMPLEXES PROVIDE INS THE REACTION MECHANISM OF THE HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROL BIOCHEMISTRY V. 39 6325 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L24 A:3001;
Valid;
none;
Ki = 455 uM
443.453 C21 H25 N5 O6 c1cc(...
NAP A:2001;
B:2002;
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
1DIG 2.2 Å EC: 1.5.1.5 HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLA COMPLEXED WITH NADP AND INHIBITOR LY374571 HOMO SAPIENS TETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE NADP INHIBROSSMANN FOLD OXIDOREDUCTASE HYDROLASE
Ref.: STRUCTURES OF THREE INHIBITOR COMPLEXES PROVIDE INS THE REACTION MECHANISM OF THE HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROL BIOCHEMISTRY V. 39 6325 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DIA Ki = 455 uM L24 C21 H25 N5 O6 c1cc(ccc1C....
2 1A4I - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DIG Ki = 431 uM L37 C17 H19 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DIA Ki = 455 uM L24 C21 H25 N5 O6 c1cc(ccc1C....
2 1A4I - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DIG Ki = 431 uM L37 C17 H19 N7 O7 c1cc(ccc1C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DIA Ki = 455 uM L24 C21 H25 N5 O6 c1cc(ccc1C....
2 1A4I - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DIG Ki = 431 uM L37 C17 H19 N7 O7 c1cc(ccc1C....
4 3NGL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4CJX - 9L9 C17 H19 N7 O7 c1cc(ccc1C....
6 4B4W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4B4U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4B4V - L34 C20 H21 N7 O7 c1cc(ccc1C....
9 5TC4 ic50 = 663 nM L34 C20 H21 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L24; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 L24 1 1
2 21V 0.543689 0.8
3 DDF 0.543689 0.8
4 THH 0.477064 0.828571
5 L34 0.468468 0.805556
6 GPB 0.439252 0.8
7 6DD 0.40708 0.859375
8 L37 0.403846 0.830769
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 : 1DIG; Ligand: NAP; Similar sites found with APoc: 659
This union binding pocket(no: 1) in the query (biounit: 1dig.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1HKU NAD 0.653595
2 1SOW NAD 1.30719
3 2NVK NAP 1.30719
4 2DFV NAD 1.30719
5 2NVK FAD 1.30719
6 1J49 NAD 1.63399
7 5LD5 NAD 1.63399
8 4MIG G3F 1.63399
9 2Q0L FAD 1.63399
10 1Q9I FAD 1.63399
11 1Q9I TEO 1.63399
12 5BJX UDP 1.63399
13 5BJX NAD 1.63399
14 4YNU FAD 1.63399
15 4YNU LGC 1.63399
16 4RDI ATP 1.73611
17 4RDH AMP 1.73611
18 4D79 ATP 1.81159
19 5ZZ6 NAD 1.92308
20 5ZZ6 ADP 1.92308
21 3OJF IMJ 1.94553
22 3OJF NDP 1.94553
23 1OMO NAD 1.96078
24 1LLU NAD 1.96078
25 1V6A TRE 1.96078
26 1KOL NAD 1.96078
27 5GZ6 7C3 1.96078
28 5GZ6 NDP 1.96078
29 1C1X NAD 1.96078
30 2VVM FAD 1.96078
31 1BXG NAD 1.96078
32 3FG2 FAD 1.96078
33 2VVL FAD 1.96078
34 1EZ4 NAD 1.96078
35 5TUF FAD 1.96078
36 4UP3 NDP 1.96078
37 1ZH8 NAP 1.96078
38 5J5Z FAD 1.96078
39 5TUF TDC 1.96078
40 4BV6 FAD 1.96078
41 1BW9 NAD 1.96078
42 3S5W NAP 1.96078
43 4RSL FAD 1.96078
44 4UP3 FAD 1.96078
45 2ACV UDP 1.96078
46 2DC1 NAD 2.11864
47 2F1K NAP 2.15054
48 2CUL FAD 2.15517
49 1HYH NAD 2.28758
50 2HJR APR 2.28758
51 1GAD NAD 2.28758
52 5JY6 NAD 2.28758
53 2VYN NAD 2.28758
54 3CMC NAD 2.28758
55 1SC6 NAD 2.28758
56 2NPX NAD 2.28758
57 5UR0 NAD 2.28758
58 4RQU NAD 2.28758
59 1K3T BRZ 2.28758
60 4DPL NAP 2.28758
61 2E5V FAD 2.28758
62 1YKJ PHB 2.28758
63 1YKJ FAD 2.28758
64 2NPX FAD 2.28758
65 3LZW FAD 2.28758
66 3LZW NAP 2.28758
67 5Z75 NAD 2.28758
68 1F06 NDP 2.28758
69 1F06 2NP 2.28758
70 1FL2 FAD 2.28758
71 1GTE FAD 2.28758
72 1PN0 FAD 2.28758
73 3QVP FAD 2.28758
74 1PN0 IPH 2.28758
75 6AIN FAD 2.28758
76 1RM4 NDP 2.28758
77 2YG3 FAD 2.28758
78 2AHR NAP 2.3166
79 2VT3 ATP 2.32558
80 2WSB NAD 2.3622
81 2DT5 NAD 2.36967
82 1J5P NAD 2.37154
83 1SW0 PGA 2.41935
84 1GVF PGH 2.44755
85 1RP0 AHZ 2.46479
86 4YKG NAD 2.4952
87 4YKG FAD 2.4952
88 4O0L NDP 2.54545
89 1P77 ATR 2.57353
90 5YAP NAI 2.61438
91 6A0S HSE 2.61438
92 6A0S NDP 2.61438
93 1Q0H FOM 2.61438
94 1Q0H NDP 2.61438
95 1OBB NAD 2.61438
96 3CIF G3H 2.61438
97 2CDU ADP 2.61438
98 2CDU FAD 2.61438
99 1BZL FAD 2.61438
100 1BZL GCG 2.61438
101 4NTC FAD 2.61438
102 2WPF FAD 2.61438
103 1HYE NAP 2.61438
104 2WPF WPF 2.61438
105 2DM6 NAP 2.61438
106 2DM6 IMN 2.61438
107 2RAB NAD 2.61438
108 3CIF NAD 2.61438
109 2RAB FAD 2.61438
110 5A1T NAI 2.61438
111 3FPZ AHZ 2.61438
112 5A0U CHT 2.61438
113 5A1T OXM 2.61438
114 2C7G ODP 2.61438
115 2C7G FAD 2.61438
116 4RVU NDP 2.61438
117 3DAG FEG 2.61438
118 5YAP 8S0 2.61438
119 5X9D 80F 2.63158
120 5JCA FAD 2.8169
121 5JCA NDP 2.8169
122 5U5N NAD 2.86738
123 6F3N ADN 2.94118
124 6F3N NAD 2.94118
125 2JHF NAD 2.94118
126 1NVM NAD 2.94118
127 1P0F NAP 2.94118
128 9LDB NAD 2.94118
129 2B4R NAD 2.94118
130 2B4R AES 2.94118
131 5H81 NAP 2.94118
132 3WMX THR 2.94118
133 5DN9 NAD 2.94118
134 1PGP 6PG 2.94118
135 4E5N NAD 2.94118
136 6F3M NAD 2.94118
137 9LDT NAD 2.94118
138 2BRY FAD 2.94118
139 4TXI FAD 2.94118
140 5GSN FAD 2.94118
141 5GSN NAP 2.94118
142 4Y1B NAP 2.94118
143 5FJN BE2 2.94118
144 5FJN FAD 2.94118
145 5TWB FAD 2.94118
146 3BAZ NAP 2.94118
147 5GSN MMZ 2.94118
148 3KLJ FAD 2.94118
149 3WMX NAD 2.94118
150 2ZXI FAD 2.94118
151 3V1Y NAD 2.94118
152 4WAS COO 2.94118
153 1N9G NAP 2.94118
154 3OZ2 FAD 2.94118
155 4WAS NAP 2.94118
156 2J8Z NAP 2.94118
157 1YQT ADP 2.94118
158 5FAW CHT 2.94118
159 1YJQ NAP 2.9703
160 5N6C NAD 3
161 4J4H NAI 3.0888
162 4J4H 1J1 3.0888
163 3O03 GCO 3.09278
164 1G6H ADP 3.11284
165 2WQ4 SFU 3.20513
166 3WV8 ATP 3.21101
167 1GUZ NAD 3.26797
168 1GV0 NAD 3.26797
169 4ZVV NAD 3.26797
170 4ZVV GN0 3.26797
171 6A3J NAI 3.26797
172 6A3J SOE 3.26797
173 2QRK AMP 3.26797
174 4XB2 NDP 3.26797
175 1R37 NAD 3.26797
176 1E5Q NDP 3.26797
177 3ZNN FAD 3.26797
178 3ZNN 4WL 3.26797
179 5CAE SIN 3.26797
180 5CAE COA 3.26797
181 2OOR NAD 3.26797
182 1YKF NAP 3.26797
183 2AQJ TRP 3.26797
184 2AQJ FAD 3.26797
185 1FEC FAD 3.26797
186 4XB2 HSE 3.26797
187 3X0V FAD 3.26797
188 1Z17 ILE 3.26797
189 1X14 NAD 3.26797
190 2DKH FAD 3.26797
191 5BUK FAD 3.26797
192 4TM3 FAD 3.26797
193 3IHG FAD 3.26797
194 4U00 ADP 3.27869
195 3AXB PRO 3.34821
196 3AXB FAD 3.34821
197 5Z2F NAP 3.39623
198 6GNC FAD 3.40136
199 2AG8 NAP 3.42205
200 4JK3 NAD 3.4749
201 2DUR MAN MAN 3.55731
202 1EBF NAD 3.59477
203 1O0S NAI 3.59477
204 2GZ3 NAP 3.59477
205 2CDC XYP 3.59477
206 2CDC XYS 3.59477
207 1X7D NAD 3.59477
208 1X7D ORN 3.59477
209 1J0X NAD 3.59477
210 1YQD NAP 3.59477
211 1YB5 NAP 3.59477
212 1LDM NAD 3.59477
213 3WGT QSC 3.59477
214 3WGT FAD 3.59477
215 3CTY FAD 3.59477
216 5AYV NAP 3.59477
217 6ER9 NAP 3.59477
218 6ER9 FAD 3.59477
219 4AP3 NAP 3.59477
220 4AP3 FAD 3.59477
221 2Q7V FAD 3.59477
222 3KB6 NAD 3.59477
223 3UCL NAP 3.59477
224 4OPC FDA 3.59477
225 4OPC PGT 3.59477
226 2IVD FAD 3.59477
227 3UCL CYH 3.59477
228 3UCL FAD 3.59477
229 2IZ1 ATR 3.59477
230 5AYV KPL 3.59477
231 3ITJ FAD 3.59477
232 3LAD FAD 3.59477
233 5EOW FAD 3.59477
234 2CDC NAP 3.59477
235 2NU8 COA 3.59477
236 5CG1 NAD BBN 3.60656
237 2HK9 ATR 3.63636
238 2HK9 NAP 3.63636
239 5T9F NAP 3.69004
240 5T9F TYR 3.69004
241 5T9E NAP 3.69004
242 3B1F NAD 3.7931
243 4MO2 FDA 3.80435
244 4MO2 FAD 3.80435
245 2GAG NAD 3.80952
246 1U1I NAD 3.82653
247 1E6W NAD 3.84615
248 4E13 NAD 3.88693
249 1CDO NAD 3.92157
250 3ETG GTP 3.92157
251 3ETG GLU 3.92157
252 3ETG NDP 3.92157
253 5FI3 NAP 3.92157
254 2GSD NAD 3.92157
255 3CGD COA 3.92157
256 3CGD NAD 3.92157
257 3CGD FAD 3.92157
258 3CGB FAD 3.92157
259 5Z20 NAI 3.92157
260 1TDF FAD 3.92157
261 1VKO NAD 3.92157
262 1TDF NAP 3.92157
263 3ICT FAD 3.92157
264 1LJ8 NAD 3.92157
265 3ICS FAD 3.92157
266 3ICS ADP 3.92157
267 5G3U ITW 3.92157
268 3ICR FAD 3.92157
269 5G3U FDA 3.92157
270 6GAR FAD 3.92157
271 1MV8 NAD 3.92157
272 3ICT ADP 3.92157
273 1MUU NAD 3.92157
274 1M2W NAD 3.92157
275 4EIP FAD 3.92157
276 1QO8 FAD 3.92157
277 4EIP K2C 3.92157
278 1A5Z NAD 3.92157
279 2I3G NAP 3.92157
280 4DSG FAD 3.92157
281 5ZBC FAD 3.92157
282 3WBF NAP 3.93443
283 3WBF API 3.93443
284 3SJU NDP 3.94265
285 5O4J SAH 4.0146
286 5O4J 9KH 4.0146
287 5O4J PJL 4.0146
288 5OJL TXP 4.02685
289 5OFW 9TW 4.03587
290 3TAO PGH 4.11985
291 4YMU ATP 4.16667
292 1QG6 NAD 4.21456
293 1QG6 TCL 4.21456
294 5TOW ADN 4.24837
295 5TOW NAI 4.24837
296 3WLE NAD 4.24837
297 1B8U OAA 4.24837
298 1B8U NAD 4.24837
299 4Z0H NAD 4.24837
300 3H9E NAD 4.24837
301 1KEV NDP 4.24837
302 3A06 FOM 4.24837
303 3A06 NDP 4.24837
304 1SAY PYR 4.24837
305 2NAD NAD 4.24837
306 1YQZ FAD 4.24837
307 4XYB NDP 4.24837
308 4R5M 4NO 4.24837
309 1TB4 PEJ 4.24837
310 4OOE NDP 4.24837
311 4OOE FOM 4.24837
312 4B7X NAP 4.24837
313 5NUF NAD 4.24837
314 4R5M NAP 4.24837
315 4PLT NAI 4.24837
316 5Y77 FAD 4.24837
317 4Z24 FAD 4.24837
318 3OJO NAD 4.24837
319 5MZI FAD 4.24837
320 5MZI FYK 4.24837
321 5I39 FAD 4.24837
322 1RSG FAD 4.24837
323 6GAS FAD 4.24837
324 4PLT OXM 4.24837
325 3JYN NDP 4.24837
326 5J7X FAD 4.24837
327 5K4W NAI 4.24837
328 6EL3 NAP 4.24837
329 5K4W THR 4.24837
330 5BRT CH9 4.24837
331 5BRT FAD 4.24837
332 5TUK FAD 4.24837
333 1GET NAP 4.24837
334 1GET FAD 4.24837
335 1GPE FAD 4.24837
336 3VZS NAP 4.28016
337 3VZS CAA 4.28016
338 4R2I ANP 4.28571
339 6AA8 NAD 4.30464
340 4JBI NDP 4.32432
341 5ZI2 NAD 4.34783
342 5ZI2 ADP 4.34783
343 3OND ADN 4.57516
344 3OND NAD 4.57516
345 3VPH OXM 4.57516
346 3VPH NAD 4.57516
347 4KP7 NAP 4.57516
348 4KP7 1UQ 4.57516
349 4ZCC FAD 4.57516
350 4ZCC NAI 4.57516
351 4D04 NAP 4.57516
352 4D04 FAD 4.57516
353 1PS9 FAD 4.57516
354 1UWK URO 4.57516
355 1UWK NAD 4.57516
356 5W3K 9TY 4.57516
357 5W3K NDP 4.57516
358 5YB7 ORN 4.57516
359 6F7L FAD 4.57516
360 5YB7 FAD 4.57516
361 5N53 8NB 4.61538
362 1XHC FAD 4.63215
363 5JE8 NAD 4.63576
364 3PLS ANP 4.69799
365 5TCI MLI 4.71014
366 5D4V SAH 4.85075
367 2FZW NAD 4.90196
368 1H2B NAJ 4.90196
369 3WQQ NDP 4.90196
370 3WQQ IB3 4.90196
371 3O9Z NAD 4.90196
372 5Z21 NAI 4.90196
373 1CF2 NAP 4.90196
374 3O9Z AKG 4.90196
375 3B1J NAD 4.90196
376 3B20 NAD 4.90196
377 1C0I FAD 4.90196
378 1C0I BE2 4.90196
379 3GGO ENO 4.90196
380 3GGO NAI 4.90196
381 1CER NAD 4.90196
382 1YS4 NAP 4.90196
383 5MIT NAP 4.90196
384 5MIT FAD 4.90196
385 2D2I NAP 4.90196
386 1H82 FAD 4.90196
387 1PJS NAD 4.90196
388 1H82 GZZ 4.90196
389 5TTJ FAD 4.90196
390 2HQM FAD 4.90196
391 2Z3Y F2N 4.90196
392 3L4S NAD 4.90196
393 3ORF NAD 4.90196
394 3L4S 3PG 4.90196
395 6GNA FAD 5.20833
396 1V8B NAD 5.22876
397 3HAD NAD 5.22876
398 2O4C NAD 5.22876
399 1KNR FAD 5.22876
400 1E1M FAD 5.22876
401 1E1M NAP 5.22876
402 5MBX FAD 5.22876
403 5MBX SP5 5.22876
404 1E6E FAD 5.22876
405 4IV9 FAD 5.22876
406 2A8X FAD 5.22876
407 5OC1 FAD 5.22876
408 4M52 M52 5.22876
409 4X9M FAD 5.22876
410 1COY AND 5.22876
411 1COY FAD 5.22876
412 1I8T FAD 5.22876
413 4M52 FAD 5.22876
414 3L9W AMP 5.22876
415 3A3B RBF 5.26316
416 3A3B FMN 5.26316
417 1O6Z NAD 5.28053
418 3RKR NAP 5.34351
419 5AOV NAP 5.35714
420 2ZJ1 NAD 5.55556
421 2ZJ1 ARJ 5.55556
422 1GQ2 NAP 5.55556
423 1PL6 NAD 5.55556
424 1PL6 572 5.55556
425 6CEP NAD 5.55556
426 6CEP OXM 5.55556
427 3ABI NAD 5.55556
428 4EMI NAD 5.55556
429 2YVF FAD 5.55556
430 2YVF NAD 5.55556
431 5JCM ISD 5.55556
432 5JCM NAD 5.55556
433 5JCM FAD 5.55556
434 2GV8 NDP 5.55556
435 4EMI FAD 5.55556
436 5ZYN FAD 5.55556
437 1IXI 2HP 5.55556
438 5GUD 2IT 5.55556
439 5MLR NAP 5.55556
440 5MLR GRQ 5.55556
441 2YVJ NAI 5.55556
442 4JJF FE9 5.55556
443 4JJF N2I 5.55556
444 2YVJ FAD 5.55556
445 5GUD NDP 5.55556
446 5GUD CIT 5.55556
447 3GF4 FAD 5.55556
448 1EQ2 NAP 5.55556
449 2VTD LKM 5.61798
450 1VI2 NAD 5.66667
451 2PV7 NAD 5.7047
452 5BSH PRO 5.77617
453 1DRV A3D 5.86081
454 1LTH NAD 5.88235
455 2B5W NAP 5.88235
456 1DSS NAD 5.88235
457 1HDG NAD 5.88235
458 3IHB GLU 5.88235
459 4U8P FDA 5.88235
460 4U8P UDP 5.88235
461 5BVA FAD 5.88235
462 2Q1S NAI 5.88235
463 4RPL 3UC 5.88235
464 4RPL FAD 5.88235
465 1NPD NAD 5.90278
466 1T26 NAI 6.20915
467 1T26 GBD 6.20915
468 1PZG A3D 6.20915
469 3TWO NDP 6.20915
470 4XQC NAD 6.20915
471 4XQC 13D 6.20915
472 2ZB4 5OP 6.20915
473 2ZB4 NAP 6.20915
474 3QJ4 FAD 6.20915
475 1REO FAD 6.20915
476 2IID PHE 6.20915
477 2IID FAD 6.20915
478 6F97 FAD 6.20915
479 1MO9 KPC 6.20915
480 5NII FAD 6.20915
481 4J36 FAD 6.20915
482 4ZGS NAD 6.20915
483 1MO9 FAD 6.20915
484 4J36 1HR 6.20915
485 3G5S FAD 6.20915
486 1PG4 COA 6.20915
487 1PG4 PRX 6.20915
488 3H5N ATP 6.20915
489 4TSK NDP 6.20915
490 1ZQ9 SAM 6.31579
491 1GZ4 ATP 6.53595
492 4MOP 2H5 6.53595
493 4OM8 NAD 6.53595
494 5TS5 FAD 6.53595
495 1JNR FAD 6.53595
496 5YU3 PRO 6.53595
497 5YU3 NAD 6.53595
498 4WZ6 ATP 6.55172
499 1NXJ TLA 6.55738
500 1JAY NAP 6.60377
501 3NOJ PYR 6.72269
502 3HVJ 705 6.78733
503 1E3I CXF 6.86275
504 2EV9 SKM 6.86275
505 2EV9 NAP 6.86275
506 2HMT NAI 6.94444
507 1NYT NAP 7.01107
508 2G5C NAD 7.11744
509 3NJ4 NAD 7.18954
510 3NJ4 AFX 7.18954
511 1F8F NAD 7.18954
512 4GUT FAD 7.18954
513 4FWE FAD 7.18954
514 3E1T FAD 7.18954
515 4HXY NDP 7.18954
516 1VL0 NAI 7.19178
517 4YRY NAD 7.24638
518 4YRY FAD 7.24638
519 5EES NAP 7.28745
520 2PZE ATP 7.42358
521 4YCA NDP 7.48299
522 2DBZ NAP 7.48503
523 1O94 ADP 7.51634
524 4NTD FAD 7.51634
525 1DJN ADP 7.51634
526 2YYY NAP 7.51634
527 1RYI FAD 7.51634
528 1RYI GOA 7.51634
529 1OXV ANP 7.51634
530 5NUE NAD 7.53012
531 6BII NAP 7.80781
532 1WDK NAD 7.84314
533 4JNA FAD 7.84314
534 4W6Z 8ID 7.84314
535 3AD8 NAD 7.88177
536 1VM6 NAD 7.89474
537 4MDH NAD 8.16993
538 5MDH NAD 8.16993
539 5UAV TFB 8.16993
540 5UAV NDP 8.16993
541 4EMJ FAD 8.41121
542 5O9F NAD 8.49673
543 5O9F 9ON 8.49673
544 5KVS 6XR 8.49673
545 3OA2 NAD 8.49673
546 5U8U FAD 8.49673
547 5KVS NAP 8.49673
548 3AB1 FAD 8.49673
549 4A0S NAP 8.49673
550 2YY7 NAD 8.49673
551 6C4N NAP 8.49673
552 3K7M FAD 8.49673
553 2GCG NDP 8.49673
554 1C3V NDP 8.57143
555 1UXG NAD 8.82353
556 1UXG FUM 8.82353
557 2VHW NAI 8.82353
558 1U3U NAD 8.82353
559 1U3U BNF 8.82353
560 1ZK7 FAD 8.82353
561 4GKV NAD 9.15033
562 2ZB3 NDP 9.15033
563 5J60 FAD 9.15033
564 4XDY NAI 9.15033
565 4EDF UPG 9.15033
566 2FJK 13P 9.18033
567 1VJT NAD 9.47712
568 1V59 NAD 9.47712
569 1V59 FAD 9.47712
570 4IDC NDP 9.47712
571 4IDC 1XX 9.47712
572 4PLG OXM 9.80392
573 4PLG NAI 9.80392
574 4MP8 NAD 9.80392
575 4MP8 MLI 9.80392
576 2GLX NDP 9.80392
577 5UAO FAD 9.80392
578 1LNX URI 9.87654
579 1KYQ NAD 10.219
580 2CVQ NDP 10.4575
581 4KOA NDP 10.4575
582 5VKT NAP 10.4972
583 4CQM NAP 10.728
584 5N2I NAP 10.7759
585 5KKA 6V0 10.7843
586 3GFB NAD 10.7843
587 1EWK GLU 10.7843
588 1Q1R FAD 10.7843
589 2IXB NAD 10.7843
590 2IXB A2G 10.7843
591 5EIN NAP 11.1111
592 3LXD FAD 11.1111
593 5VN0 NAI 11.1111
594 5VN0 FAD 11.1111
595 3AYI FAD 11.1111
596 3AYI HCI 11.1111
597 4J56 FAD 11.4035
598 3T31 DCQ 11.4379
599 3T31 FAD 11.4379
600 2R4J 13P 11.4379
601 2R4J FAD 11.4379
602 2A92 NAI 11.7647
603 5JWC FAD 11.7647
604 1LVL FAD 11.7647
605 1LVL NAD 11.7647
606 3N9R TD3 11.7647
607 3HDY FAD 11.7647
608 3HDY FDA 11.7647
609 3HDY GDU 11.7647
610 5XWC 8GL 11.7647
611 5XWC NAP 11.7647
612 5XWC 2IT 11.7647
613 5ODQ FAD 11.9565
614 5W7B MYR 12.0567
615 1GR0 NAD 12.0915
616 2GMH FAD 12.0915
617 4BVA NDP 12.4183
618 1UP7 NAD 12.4183
619 3NTA FAD 12.4183
620 3NTD FAD 12.4183
621 3UOY NAP 12.4183
622 3UOY FAD 12.4183
623 4BVA T3 12.4183
624 3NT6 FAD 12.4183
625 1DLJ NAI 12.7451
626 1DLJ UGA 12.7451
627 4JDR FAD 13.0719
628 4OHU 2TK 13.1488
629 4OHU NAD 13.1488
630 4L8V NAP 13.3987
631 1HDR NAD 13.5246
632 4XYM COA 13.913
633 4XZ3 COA 13.913
634 5M67 NAD 14.0523
635 5M67 ADE 14.0523
636 5M67 3D1 14.0523
637 5X62 SAH 14.0523
638 4YT4 FE9 14.0523
639 4D42 W0I 14.1844
640 4D42 NAP 14.1844
641 1D1T NAD 14.3791
642 1KKR 2AS 15.3595
643 3RNM FAD 15.5172
644 3QFA FAD 15.5172
645 1LSS NAD 15.7143
646 3QV1 NAD 15.8537
647 3GD4 NAD 16.6667
648 3GD4 FAD 16.6667
649 1YY5 FAD 16.9935
650 1NVT NAP 17.4216
651 1I36 NAP 18.5606
652 4YSX FAD 19.6809
653 4HSU FAD 20
654 2F5Z FAD 20.3125
655 1RM0 D6P 20.5882
656 1RM0 NAI 20.5882
657 2WET FAD 22.549
658 1LDN NAD 22.8758
659 4GUS FAD 28.5714
Pocket No.: 2; Query (leader) PDB : 1DIG; Ligand: L37; Similar sites found with APoc: 346
This union binding pocket(no: 2) in the query (biounit: 1dig.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1HKU NAD 0.653595
3 1SOW NAD 1.30719
4 2NVK NAP 1.30719
5 2DFV NAD 1.30719
6 5LD5 NAD 1.63399
7 1J49 NAD 1.63399
8 2Q0L NAP 1.63399
9 4D52 GXL 1.63399
10 4RDH AMP 1.73611
11 4RDI ATP 1.73611
12 4D79 ATP 1.81159
13 5ZZ6 NAD 1.92308
14 5ZZ6 ADP 1.92308
15 1V6A TRE 1.96078
16 5GZ6 NDP 1.96078
17 1OMO NAD 1.96078
18 1EZ4 NAD 1.96078
19 4UP3 NDP 1.96078
20 5GZ6 7C3 1.96078
21 1LLU NAD 1.96078
22 1OHE ACE ALA SEP PRO 1.96078
23 1BXG NAD 1.96078
24 1BW9 NAD 1.96078
25 3S5W NAP 1.96078
26 1C1X NAD 1.96078
27 2ACV UDP 1.96078
28 1KOL NAD 1.96078
29 5J5Z FAD 1.96078
30 5TUF FAD 1.96078
31 1ZH8 NAP 1.96078
32 5TUF TDC 1.96078
33 2DC1 NAD 2.11864
34 2F1K NAP 2.15054
35 2HJR APR 2.28758
36 4RQU NAD 2.28758
37 5UR0 NAD 2.28758
38 1HYH NAD 2.28758
39 5DNK SAH 2.28758
40 4R84 CSF 2.28758
41 1RM4 NDP 2.28758
42 1SC6 NAD 2.28758
43 1GAD NAD 2.28758
44 2NPX NAD 2.28758
45 4DPL NAP 2.28758
46 2VYN NAD 2.28758
47 1YKJ PHB 2.28758
48 1YKJ FAD 2.28758
49 3CMC NAD 2.28758
50 2VT3 ATP 2.32558
51 2DT5 NAD 2.36967
52 1J5P NAD 2.37154
53 1GVF PGH 2.44755
54 1P77 ATR 2.57353
55 2P39 SCR 2.58065
56 2CDU ADP 2.61438
57 3CIF NAD 2.61438
58 1HYE NAP 2.61438
59 1OBB NAD 2.61438
60 5A1T OXM 2.61438
61 5A1T NAI 2.61438
62 5YAP 8S0 2.61438
63 6A0S NDP 2.61438
64 6A0S HSE 2.61438
65 5YAP NAI 2.61438
66 5A0U CHT 2.61438
67 1Q0H NDP 2.61438
68 2RAB NAD 2.61438
69 3CIF G3H 2.61438
70 5X9D 80F 2.63158
71 5U5N NAD 2.86738
72 6F3N ADN 2.94118
73 6F3N NAD 2.94118
74 2JHF NAD 2.94118
75 6F3M NAD 2.94118
76 9LDT NAD 2.94118
77 5GSN NAP 2.94118
78 2B4R AES 2.94118
79 1P0F NAP 2.94118
80 1NVM NAD 2.94118
81 3BAZ NAP 2.94118
82 3V1Y NAD 2.94118
83 2B4R NAD 2.94118
84 4E5N NAD 2.94118
85 1F8G NAD 2.94118
86 1N9G NAP 2.94118
87 9LDB NAD 2.94118
88 1PGP 6PG 2.94118
89 5DN9 NAD 2.94118
90 5H81 NAP 2.94118
91 5N6C NAD 3
92 4J4H 1J1 3.0888
93 4J4H NAI 3.0888
94 1G6H ADP 3.11284
95 3QH2 3NM 3.16742
96 2WQ4 SFU 3.20513
97 3WV8 ATP 3.21101
98 4ZVV NAD 3.26797
99 4XB2 NDP 3.26797
100 4ZVV GN0 3.26797
101 1GUZ NAD 3.26797
102 1GV0 NAD 3.26797
103 2OOR NAD 3.26797
104 4XB2 HSE 3.26797
105 2QRK AMP 3.26797
106 6A3J SOE 3.26797
107 1X14 NAD 3.26797
108 5CAE COA 3.26797
109 6A3J NAI 3.26797
110 1YKF NAP 3.26797
111 1EK6 NAI 3.26797
112 1EK6 UPG 3.26797
113 1E5Q NDP 3.26797
114 4MZU TDR 3.26797
115 4U00 ADP 3.27869
116 5Z2F NAP 3.39623
117 2AG8 NAP 3.42205
118 4JK3 NAD 3.4749
119 4LWU 20U 3.52941
120 2CDC XYP 3.59477
121 2CDC XYS 3.59477
122 1LDM NAD 3.59477
123 2CDC NAP 3.59477
124 2IZ1 ATR 3.59477
125 1X7D ORN 3.59477
126 1EBF NAD 3.59477
127 2GZ3 NAP 3.59477
128 5AYV NAP 3.59477
129 1X7D NAD 3.59477
130 1O0S NAI 3.59477
131 3KB6 NAD 3.59477
132 2NU8 COA 3.59477
133 1YQD NAP 3.59477
134 2JK0 ASP 3.59477
135 1J0X NAD 3.59477
136 2HK9 ATR 3.63636
137 2HK9 NAP 3.63636
138 3B1F NAD 3.7931
139 4E13 NAD 3.88693
140 1A5Z NAD 3.92157
141 3ICS ADP 3.92157
142 1LJ8 NAD 3.92157
143 3ETG GLU 3.92157
144 3ICT ADP 3.92157
145 2I3G NAP 3.92157
146 1M2W NAD 3.92157
147 1CDO NAD 3.92157
148 3ETG GTP 3.92157
149 3ETG NDP 3.92157
150 2GSD NAD 3.92157
151 1MUU NAD 3.92157
152 3NHB ADP 3.92157
153 5FI3 NAP 3.92157
154 5Z20 NAI 3.92157
155 1MV8 NAD 3.92157
156 5OJL TXP 4.02685
157 5OFW 9TW 4.03587
158 3H8V ATP 4.10959
159 5TOW NAI 4.24837
160 5TOW ADN 4.24837
161 1B8U NAD 4.24837
162 4PLT NAI 4.24837
163 4Z0H NAD 4.24837
164 5NUF NAD 4.24837
165 4R5M NAP 4.24837
166 3H9E NAD 4.24837
167 3WLE NAD 4.24837
168 4PLT OXM 4.24837
169 3OJO NAD 4.24837
170 1B8U OAA 4.24837
171 4R5M 4NO 4.24837
172 1TB4 PEJ 4.24837
173 3A06 FOM 4.24837
174 1KEV NDP 4.24837
175 2NAD NAD 4.24837
176 5KDS A2G THR ALA PRO GLY GLY NAG SIA 4.24837
177 4B7X NAP 4.24837
178 1SAY PYR 4.24837
179 3A06 NDP 4.24837
180 4OOE FOM 4.24837
181 4OOE NDP 4.24837
182 4R2I ANP 4.28571
183 6AA8 NAD 4.30464
184 4JBI NDP 4.32432
185 5ZI2 NAD 4.34783
186 3VPH OXM 4.57516
187 3VPH NAD 4.57516
188 4KP7 NAP 4.57516
189 4KP7 1UQ 4.57516
190 3OND ADN 4.57516
191 3OND NAD 4.57516
192 5N53 8NB 4.61538
193 5JE8 NAD 4.63576
194 3PLS ANP 4.69799
195 5TCI MLI 4.71014
196 4X5S AZM 4.74138
197 5D4V SAH 4.85075
198 2FZW NAD 4.90196
199 1CER NAD 4.90196
200 2D2I NAP 4.90196
201 3B20 NAD 4.90196
202 1YS4 NAP 4.90196
203 3L4S NAD 4.90196
204 1PJS NAD 4.90196
205 3GGO ENO 4.90196
206 3L4S 3PG 4.90196
207 1CF2 NAP 4.90196
208 3WQQ IB3 4.90196
209 3WQQ NDP 4.90196
210 1H2B NAJ 4.90196
211 6BMS POV 4.90196
212 5Z21 NAI 4.90196
213 3GGO NAI 4.90196
214 3O9Z NAD 4.90196
215 3B1J NAD 4.90196
216 6AYU F6P 4.90196
217 3WIR BGC 4.90196
218 1V8B NAD 5.22876
219 3HAD NAD 5.22876
220 3L9W AMP 5.22876
221 2O4C NAD 5.22876
222 1O6Z NAD 5.28053
223 3RKR NAP 5.34351
224 5AOV NAP 5.35714
225 2ZJ1 NAD 5.55556
226 2ZJ1 ARJ 5.55556
227 3ABI NAD 5.55556
228 1GQ2 NAP 5.55556
229 2YVJ NAI 5.55556
230 1IXI 2HP 5.55556
231 1PL6 572 5.55556
232 6CEP OXM 5.55556
233 6CEP NAD 5.55556
234 1PL6 NAD 5.55556
235 2GV8 NDP 5.55556
236 1VI2 NAD 5.66667
237 2PV7 NAD 5.7047
238 4GKY MAN 5.74713
239 5BSH PRO 5.77617
240 1DRV A3D 5.86081
241 1DSS NAD 5.88235
242 4IA6 EIC 5.88235
243 1HDG NAD 5.88235
244 2B5W NAP 5.88235
245 1LTH NAD 5.88235
246 1XVB BHL 5.88235
247 1NPD NAD 5.90278
248 1T26 NAI 6.20915
249 1T26 GBD 6.20915
250 1PZG A3D 6.20915
251 4XQC 13D 6.20915
252 4XQC NAD 6.20915
253 3TWO NDP 6.20915
254 4ZGS NAD 6.20915
255 1ZQ9 SAM 6.31579
256 1GZ4 ATP 6.53595
257 5YU3 PRO 6.53595
258 5YU3 NAD 6.53595
259 4OM8 NAD 6.53595
260 4WZ6 ATP 6.55172
261 5NGZ 2BG 6.59898
262 1JAY NAP 6.60377
263 3NOJ PYR 6.72269
264 1E3I CXF 6.86275
265 2EV9 NAP 6.86275
266 2EV9 SKM 6.86275
267 2HMT NAI 6.94444
268 1NYT NAP 7.01107
269 2G5C NAD 7.11744
270 3NJ4 NAD 7.18954
271 3NJ4 AFX 7.18954
272 1F8F NAD 7.18954
273 5EES NAP 7.28745
274 4YCA NDP 7.48299
275 2DBZ NAP 7.48503
276 1O94 ADP 7.51634
277 1DJN ADP 7.51634
278 5NUE NAD 7.53012
279 6BII NAP 7.80781
280 1WDK NAD 7.84314
281 4W6Z 8ID 7.84314
282 3QV9 QV7 7.84314
283 1VM6 NAD 7.89474
284 5MDH NAD 8.16993
285 4MDH NAD 8.16993
286 5UAV TFB 8.16993
287 5UAV NDP 8.16993
288 5O9F NAD 8.49673
289 5O9F 9ON 8.49673
290 5KVS NAP 8.49673
291 6C4N NAP 8.49673
292 2GCG NDP 8.49673
293 3OA2 NAD 8.49673
294 5U8U FAD 8.49673
295 5KVS 6XR 8.49673
296 1C3V NDP 8.57143
297 1ZZ7 S0H 8.58586
298 1UXG FUM 8.82353
299 1UXG NAD 8.82353
300 2VHW NAI 8.82353
301 1U3U BNF 8.82353
302 1U3U NAD 8.82353
303 4GKV NAD 9.15033
304 1VJT NAD 9.47712
305 1V59 NAD 9.47712
306 4PLG NAI 9.80392
307 4PLG OXM 9.80392
308 4MP8 MLI 9.80392
309 4MP8 NAD 9.80392
310 1KYQ NAD 10.219
311 4KOA NDP 10.4575
312 2CVQ NDP 10.4575
313 5VKT NAP 10.4972
314 4CQM NAP 10.728
315 5N2I NAP 10.7759
316 3GFB NAD 10.7843
317 1EWK GLU 10.7843
318 2IXB A2G 10.7843
319 5KKA 6V0 10.7843
320 3T31 DCQ 11.4379
321 3T31 FAD 11.4379
322 2A92 NAI 11.7647
323 1LVL NAD 11.7647
324 1GR0 NAD 12.0915
325 4BVA NDP 12.4183
326 1UP7 NAD 12.4183
327 4BVA T3 12.4183
328 1DLJ NAI 12.7451
329 4L8V NAP 13.3987
330 4XZ3 COA 13.913
331 4XYM COA 13.913
332 1FTH A3P 13.9344
333 5M67 NAD 14.0523
334 5M67 ADE 14.0523
335 5M67 3D1 14.0523
336 1D1T NAD 14.3791
337 1M2Z BOG 14.3969
338 1LSS NAD 15.7143
339 3QV1 NAD 15.8537
340 3KO0 TFP 16.8317
341 1NVT NAP 17.4216
342 1I36 NAP 18.5606
343 1RM0 D6P 20.5882
344 1RM0 NAI 20.5882
345 2WET FAD 22.549
346 1LDN NAD 22.8758
Pocket No.: 3; Query (leader) PDB : 1DIG; Ligand: NAP; Similar sites found with APoc: 30
This union binding pocket(no: 3) in the query (biounit: 1dig.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4A05 CBI 1.63399
3 2Q0L NAP 1.63399
4 4D52 GXL 1.63399
5 5DNK SAH 2.28758
6 4R84 CSF 2.28758
7 2P39 SCR 2.58065
8 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
9 1F8G NAD 2.94118
10 3QH2 3NM 3.16742
11 1EK6 UPG 3.26797
12 1EK6 NAI 3.26797
13 4MZU TDR 3.26797
14 4LWU 20U 3.52941
15 5C9P FUC 3.92157
16 3NHB ADP 3.92157
17 3H8V ATP 4.10959
18 1USI PHE 4.24837
19 4X5S AZM 4.74138
20 6BMS POV 4.90196
21 6AYU F6P 4.90196
22 3WIR BGC 4.90196
23