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Receptor
PDB id Resolution Class Description Source Keywords
2CDC 1.5 Å EC: 1.1.1.47 SULFOLOBUS SOLFATARICUS GLUCOSE DEHYDROGENASE 1 IN COMPLEX W AND XYLOSE SULFOLOBUS SOLFATARICUS GLUCOSE DEHYDROGENASE REDUCTASE OXIDOREDUCTASE MDR FAMILY
Ref.: THE STRUCTURAL BASIS OF SUBSTRATE PROMISCUITY IN GL DEHYDROGENASE FROM THE HYPERTHERMOPHILIC ARCHAEON S SOLFATARICUS. J. BIOL. CHEM. V. 281 14796 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:1367;
C:1367;
D:1367;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAP A:1367;
B:1368;
C:1368;
D:1368;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
XYP A:1369;
B:1369;
C:1369;
D:1370;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
XYS A:1368;
A:1370;
B:1370;
C:1370;
D:1369;
D:1371;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
ZN A:1371;
A:1372;
B:1371;
B:1372;
C:1371;
C:1372;
D:1372;
D:1373;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CDC 1.5 Å EC: 1.1.1.47 SULFOLOBUS SOLFATARICUS GLUCOSE DEHYDROGENASE 1 IN COMPLEX W AND XYLOSE SULFOLOBUS SOLFATARICUS GLUCOSE DEHYDROGENASE REDUCTASE OXIDOREDUCTASE MDR FAMILY
Ref.: THE STRUCTURAL BASIS OF SUBSTRATE PROMISCUITY IN GL DEHYDROGENASE FROM THE HYPERTHERMOPHILIC ARCHAEON S SOLFATARICUS. J. BIOL. CHEM. V. 281 14796 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2CDC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2CDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2CDA - 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 3 families.
1 2CDC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2CDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2CDA - 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 2 families.
1 2CDC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2CDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2CDA - 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
Ligand no: 2; Ligand: XYP; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Ligand no: 3; Ligand: XYS; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CDC; Ligand: XYP; Similar sites found with APoc: 560
This union binding pocket(no: 1) in the query (biounit: 2cdc.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 3EF0 ALF 0.819672
2 4YT4 FE9 1.36612
3 1D8C GLV 1.36612
4 4ZCC FAD 1.4881
5 5NM7 GLY 1.50376
6 4PLT NAI 1.51057
7 4PLT OXM 1.51057
8 3RKR NAP 1.52672
9 1MUU NAD 1.63934
10 1MV8 NAD 1.63934
11 2NAD NAD 1.63934
12 1U1I NAD 1.63934
13 5HV7 RBL 1.63934
14 1O6Z NAD 1.65016
15 1EBF NAD 1.67598
16 2I3G NAP 1.70455
17 5UR0 NAD 1.7192
18 1NE7 AGP 1.7301
19 1Y1P NMN AMP PO4 1.75439
20 1XG5 NAP 1.79211
21 2CVQ NDP 1.83486
22 3JYN NDP 1.84615
23 3QWI NAP 1.85185
24 1GQ2 NAP 1.91257
25 3S5W NAP 1.91257
26 3A06 NDP 1.91257
27 1GR0 NAD 1.91257
28 1VJT NAD 1.91257
29 3ETG NDP 1.91257
30 3ETG GLU 1.91257
31 1TB4 PEJ 1.91257
32 3S5W FAD 1.91257
33 3A06 FOM 1.91257
34 1LJ8 NAD 1.91257
35 1QMG APX 1.91257
36 1M2W NAD 1.91257
37 1GUZ NAD 1.93548
38 4TSK NDP 2
39 1A99 PUT 2.03488
40 3L4S NAD 2.08333
41 3L4S 3PG 2.08333
42 4Z0H NAD 2.09581
43 6A0S NDP 2.10843
44 6A0S HSE 2.10843
45 5KVA SAM 2.15827
46 5UAV NDP 2.17391
47 5UAV TFB 2.17391
48 5K4W NAI 2.18069
49 3L9W AMP 2.18579
50 4Y1B NAP 2.18579
51 2QRK AMP 2.18579
52 5EOW FAD 2.18579
53 1VKO NAD 2.18579
54 5O4J PJL 2.18978
55 5O4J 9KH 2.18978
56 5O4J SAH 2.18978
57 1JA9 NDP 2.18978
58 1AE1 NAP 2.1978
59 1HKU NAD 2.23464
60 5KKA 6V0 2.24359
61 1BXK NAD 2.25352
62 1I36 NAP 2.27273
63 3WV8 ATP 2.29358
64 3WBF API 2.29508
65 3WBF NAP 2.29508
66 4L80 OXL 2.29885
67 5ZI2 NAD 2.31884
68 5ZI2 ADP 2.31884
69 5Y8L NAD 2.37288
70 5Y8L HUI 2.37288
71 5U5G NAP 2.37288
72 1DSS NAD 2.4024
73 3B1F NAD 2.41379
74 2VHW NAI 2.45902
75 4A0S NAP 2.45902
76 3KLJ FAD 2.45902
77 1UAY ADN 2.47934
78 2BKA NDP 2.47934
79 5TVA AMP 2.5
80 4FZV SAM 2.51046
81 5LD5 NAD 2.51397
82 1YS4 NAP 2.54237
83 5XVH NAP 2.61438
84 4M37 SAH 2.62391
85 4OSP NAP 2.6616
86 1U7T NAD 2.68199
87 2AHR NAP 2.7027
88 2DM6 NAP 2.7027
89 2DM6 IMN 2.7027
90 3K5I AIR 2.72953
91 2O4C NAD 2.73224
92 3OND ADN 2.73224
93 3OND NAD 2.73224
94 2DKH FAD 2.73224
95 5EZ7 FAD 2.73224
96 5ZBC FAD 2.73224
97 2DKH 3HB 2.73224
98 5GZ6 7C3 2.76074
99 5GZ6 NDP 2.76074
100 3FPZ AHZ 2.76074
101 1SAY PYR 2.77008
102 3AB1 FAD 2.77778
103 4DPL NAP 2.78552
104 2VT3 ATP 2.7907
105 4D06 NAR 2.82686
106 3KIF GDL 2.83019
107 4CQM NAP 2.86885
108 1GV0 NAD 2.90323
109 4JJF FE9 2.90698
110 4JJF N2I 2.90698
111 1HYH NAD 2.91262
112 4B7X NAP 2.97619
113 2C49 ADN 2.98013
114 3KB6 NAD 2.99401
115 1VI2 NAD 3
116 2B4R NAD 3.00546
117 2B4R AES 3.00546
118 1X14 NAD 3.00546
119 3GD4 NAD 3.00546
120 5YAP NAI 3.00546
121 2GSD NAD 3.00546
122 5YAP 8S0 3.00546
123 5TUF FAD 3.00546
124 2GV8 NDP 3.00546
125 5JWC FAD 3.00546
126 2GVC FAD 3.00546
127 1VQW FAD 3.00546
128 3AXB FAD 3.00546
129 2GV8 FAD 3.00546
130 5EVY FAD 3.00546
131 4KVL PLM 3.00546
132 3SJ7 NDP 3.00546
133 5TS5 FAD 3.00546
134 1J0X NAD 3.01205
135 5DN9 NAD 3.02198
136 2AG8 NAP 3.04183
137 6GNC FAD 3.06122
138 3H8V ATP 3.08219
139 1TE2 PGA 3.09735
140 1NPD NAD 3.125
141 5OVK NDP 3.125
142 1KEV NDP 3.1339
143 6GAR FAD 3.15186
144 1WPQ NAD 3.15186
145 1J5P NAD 3.16206
146 5Z20 NAI 3.18841
147 5A96 GTP 3.21285
148 3VPH NAD 3.22581
149 3VPH OXM 3.22581
150 3SJU NDP 3.22581
151 5W3K 9TY 3.23529
152 5W3K NDP 3.23529
153 1UXG FUM 3.23625
154 1UXG NAD 3.23625
155 6C4N NAP 3.27869
156 6C4M NAP 3.27869
157 2RGJ FAD 3.27869
158 2ZXI FAD 3.27869
159 5I39 FAD 3.27869
160 5J7X FAD 3.27869
161 3CGB FAD 3.27869
162 5ZYN FAD 3.27869
163 2V6G NAP 3.2967
164 6F9Q NAD 3.30882
165 6GAS FAD 3.32326
166 1WVG APR 3.34262
167 2QA1 FAD 3.4
168 1ZEM NAD 3.43511
169 3O03 NAP 3.43643
170 1F06 2NP 3.4375
171 1F06 NDP 3.4375
172 2CUL FAD 3.44828
173 3H9E NAD 3.46821
174 1P1C SAH 3.51759
175 1PJS NAD 3.55191
176 5TUK FAD 3.55191
177 5MQ6 NDP 3.55191
178 6A3J NAI 3.55191
179 5GSN NAP 3.55191
180 2IXB NAD 3.55191
181 4K5S FAD 3.55191
182 5GSN FAD 3.55191
183 6A3J SOE 3.55191
184 2IXB A2G 3.55191
185 5NII FAD 3.55987
186 3V1Y NAD 3.56083
187 4R1S NAP 3.56083
188 5U5N NAD 3.58423
189 4PLG OXM 3.59281
190 4PLG NAI 3.59281
191 1DIG NAP 3.59477
192 1DIG L37 3.59477
193 2VYN NAD 3.62538
194 3DAG FEG 3.63128
195 3WMX NAD 3.63128
196 1LDM NAD 3.64742
197 3QV1 NAD 3.65854
198 1OMO NAD 3.72671
199 1LC3 NAD 3.7415
200 1F74 NAY 3.75427
201 4XYB NDP 3.82514
202 4JDR FAD 3.82514
203 6F7L FAD 3.82514
204 5CAE COA 3.83387
205 1HYE NAP 3.83387
206 5CAE SIN 3.83387
207 1ZQ9 SAM 3.85965
208 1EQ2 NAP 3.87097
209 2FKA BEF 3.87597
210 6CEP NAD 3.89222
211 6CEP OXM 3.89222
212 4RVU NDP 3.91566
213 4Y9D NAI 3.93443
214 1XTP SAI 3.93701
215 2F1K NAP 3.94265
216 5L4L NAP 3.94737
217 2HJR APR 3.96341
218 5JE8 NAD 3.97351
219 3NGL NAP 3.98551
220 3Q3C NAD 4.01338
221 3G2O SAM 4.01338
222 2PK3 A2R 4.04984
223 1V59 NAD 4.09836
224 1O0S NAI 4.09836
225 3IHG FAD 4.09836
226 1E5Q NDP 4.09836
227 1BRW URA 4.09836
228 1Y8Q ATP 4.09836
229 3AKI AH8 4.09836
230 3LXD FAD 4.09836
231 3G5S FAD 4.09836
232 5BVA FAD 4.09836
233 2WET FAD 4.09836
234 1V59 FAD 4.09836
235 5F5N NAD 4.15225
236 6GNA FAD 4.16667
237 1X87 NAD 4.17423
238 4MDH NAD 4.19162
239 5MDH NAD 4.2042
240 1SC6 NAD 4.20792
241 2D2I NAP 4.21053
242 4E13 NAD 4.24028
243 1B8U NAD 4.25532
244 1B8U OAA 4.25532
245 1JG3 ADN 4.25532
246 2DT5 NAD 4.2654
247 2G5C NAD 4.27046
248 1DJN ADP 4.37158
249 1GZ4 ATP 4.37158
250 1N9G NAP 4.37158
251 4XQC NAD 4.37158
252 3SSO SAH 4.37158
253 4XQC 13D 4.37158
254 5GUD 2IT 4.37158
255 5GUD NDP 4.37158
256 5NMX FAD 4.37158
257 2YYY NAP 4.37318
258 4CJX NAP 4.38871
259 4WAS NAP 4.3956
260 4WAS COO 4.3956
261 1ZH8 NAP 4.41176
262 2EWM NAD 4.41767
263 1NYT NAP 4.42804
264 1CF2 NAP 4.45104
265 4XB2 NDP 4.47761
266 4XB2 HSE 4.47761
267 1Z82 NDP 4.47761
268 2YY7 NAD 4.48718
269 4M52 FAD 4.50644
270 9LDT NAD 4.51807
271 1HDG NAD 4.51807
272 9LDB NAD 4.51807
273 1V6A TRE 4.51807
274 5Z2F NAP 4.5283
275 1YKF NAP 4.54545
276 1O94 ADP 4.54545
277 1GAD NAD 4.54545
278 3VYW SAM 4.54545
279 4NBT NAD 4.58333
280 5BRT FAD 4.64481
281 3GMB FAD 4.64481
282 2GZ3 NAP 4.64481
283 3QJ4 FAD 4.67836
284 1E6E FAD 4.6875
285 5OJL TXP 4.69799
286 3B20 NAD 4.71976
287 3B1J NAD 4.71976
288 6EL3 NAP 4.72441
289 3CIF NAD 4.73538
290 3CIF G3H 4.73538
291 4YCA NDP 4.7619
292 1O5I NAD 4.81928
293 1X7D NAD 4.85714
294 1X7D ORN 4.85714
295 5G4L NDP 4.8951
296 3ICS ADP 4.91803
297 3ICT ADP 4.91803
298 2IZ1 ATR 4.91803
299 1KJ8 GAR 4.91803
300 1OBB NAD 4.91803
301 4YAC NAI 5.05051
302 1BW9 NAD 5.05618
303 1BXG NAD 5.05618
304 1FK8 NAD 5.05837
305 5FFF NAP 5.05837
306 1C1X NAD 5.07042
307 2HK9 ATR 5.09091
308 2HK9 NAP 5.09091
309 3GGO NAI 5.09554
310 3GGO ENO 5.09554
311 5NUF NAD 5.12048
312 5NUE NAD 5.12048
313 1CER NAD 5.13595
314 4RF2 NAP 5.14706
315 5OCM NAP 5.15464
316 1LVL NAD 5.19126
317 1YKJ FAD 5.19126
318 4CNK FAD 5.19126
319 5N6C NAD 5.33333
320 2BGM NAJ 5.39568
321 6BII NAP 5.40541
322 4KOA NDP 5.40541
323 2GLX NDP 5.42169
324 2NU8 COA 5.46448
325 5Y77 FAD 5.46448
326 2FR1 NDP 5.46448
327 5J60 FAD 5.625
328 2C29 NAP 5.63798
329 1FS5 TLA 5.6391
330 3H5N ATP 5.66572
331 1VM6 NAD 5.70175
332 1LSS NAD 5.71429
333 2Y6Q FAD 5.7377
334 1E3W NAD 5.74713
335 5ZI9 FLC 5.76923
336 1E6W NAD 5.76923
337 4D3F NAP 5.80645
338 1FL2 FAD 5.80645
339 5A1T NAI 5.8651
340 5A1T OXM 5.8651
341 5JDI NAP 5.90278
342 5JCJ NAP 5.90278
343 5K6A NAP 5.90278
344 1NVT NAP 5.92335
345 6AA8 NAD 5.96026
346 1FWV SGA MAG FUC 5.97015
347 1U8X NAD 6.01093
348 5M67 NAD 6.01093
349 5M67 ADE 6.01093
350 5M67 3D1 6.01093
351 5AYV NAP 6.14887
352 5AYV KPL 6.14887
353 1SQS TLA 6.19835
354 6ACS CIT 6.20155
355 2J8Z NAP 6.21469
356 5ZZ6 ADP 6.25
357 5ZZ6 NAD 6.25
358 1LUA NAP 6.27178
359 2NVK NAP 6.28415
360 1XHC FAD 6.28415
361 1N1G BCP 6.28415
362 5G3U FDA 6.28415
363 4RSL FAD 6.28415
364 4J1Q NDP 6.28415
365 1LDN NAD 6.32911
366 5D4V SAH 6.34328
367 3ORF NAD 6.3745
368 3G89 SAM 6.4257
369 2Q7V FAD 6.46154
370 4XFR CIT 6.55738
371 2RGO FAD 6.55738
372 4KQW NAP 6.57143
373 4RDH AMP 6.59722
374 4RDI ATP 6.59722
375 1PZG A3D 6.64653
376 4E5N NAD 6.66667
377 5YU3 NAD 6.68605
378 5YU3 PRO 6.68605
379 4UP3 NDP 6.6879
380 4UP3 FAD 6.6879
381 5Z75 NAD 6.72783
382 4NTD FAD 6.76471
383 5A04 NDP 6.78466
384 5A04 BGC 6.78466
385 4ZGS NAD 6.8306
386 1PS9 NAP 6.8306
387 4TXI FAD 6.8306
388 2BRY FAD 6.8306
389 4DE3 DN8 6.84411
390 4D79 ATP 6.88406
391 3LZW FAD 6.92771
392 3C8F MT2 6.93878
393 1RP0 AHZ 7.04225
394 3OJO NAD 7.10383
395 4XZ3 COA 7.11207
396 4XYM COA 7.11207
397 5OFW 9TW 7.17489
398 2Q1W NAD 7.20721
399 2RI1 GLP 7.23404
400 5WQP NAP 7.26496
401 2GCG NDP 7.27273
402 1KYQ NAD 7.29927
403 1P77 ATR 7.35294
404 5X20 NAD 7.37179
405 4MP8 MLI 7.37463
406 4MP8 NAD 7.37463
407 1NVM NAD 7.53623
408 2HMT NAI 7.63889
409 2D5A COA 7.63889
410 5T9E NAP 7.65027
411 2Q0L NAP 7.71704
412 2Q0L FAD 7.71704
413 4BVA NDP 7.76119
414 4BVA T3 7.76119
415 4HXY NDP 7.9235
416 3LAD FAD 7.9235
417 4X9M FAD 7.9235
418 2BOI MFU 7.9646
419 4L8V NAP 8.01187
420 4USR FAD 8.03324
421 5E4R NAP 8.19672
422 2IVD FAD 8.19672
423 5N53 8NB 8.20513
424 2ZB3 NDP 8.2153
425 5X9D 80F 8.22368
426 5BW4 SAM 8.2397
427 1WP4 NDP 8.3045
428 2CVZ NDP 8.3045
429 4O0L NDP 8.36364
430 2ZB4 NAP 8.40336
431 2ZB4 5OP 8.40336
432 1J49 NAD 8.40841
433 3C1O NAP 8.41121
434 1JAY NAP 8.49057
435 3OA2 NAD 8.49057
436 4R5M NAP 8.74317
437 4R5M 4NO 8.74317
438 4XDZ NDP 8.74636
439 1DRV A3D 8.79121
440 5THQ NDP 8.82353
441 4USQ FAD 8.86427
442 1VL0 NAI 8.90411
443 4B4U NAP 8.91089
444 3NJ4 NAD 9.01639
445 6AIN FAD 9.01639
446 5N2I NAP 9.05172
447 5TC4 NAD 9.17722
448 1RM4 NDP 9.19881
449 1UP7 NAD 9.28962
450 2DC1 NAD 9.32203
451 1K3T BRZ 9.47075
452 5AOV NAP 9.52381
453 1WDK NAD 9.56284
454 1F8G NAD 9.56284
455 5X68 FAD 9.56284
456 5Z21 NAI 9.77654
457 1C3V NDP 9.79592
458 1V8B NAD 9.83607
459 2OOR NAD 9.83607
460 1L7E NAI 9.83607
461 1NM5 NAD 9.83607
462 2F5Z FAD 9.83607
463 2CDU ADP 10.1093
464 2CDU FAD 10.1093
465 5EES NAP 10.1215
466 3ABI NAD 10.137
467 6DUB SAH 10.3604
468 5FI3 NAP 10.3641
469 5H81 NAP 10.3825
470 5VN0 NAI 10.3825
471 2JHP SAH 10.3825
472 5VN0 FAD 10.3825
473 3DXY SAM 10.5505
474 5GT9 NAP 10.6464
475 4RQU NAD 10.6557
476 1E3I CXF 10.6557
477 5T9F NAP 10.7011
478 5T9F TYR 10.7011
479 1T26 GBD 10.8696
480 1T26 NAI 10.8696
481 1F8F NAD 10.929
482 3FG2 FAD 10.929
483 2EV9 SKM 11.0266
484 2EV9 NAP 11.0266
485 1D1T NAD 11.2022
486 6C4T NA7 11.2022
487 2A92 NAI 11.215
488 4XDY NAI 11.2426
489 1HDR NAD 11.4754
490 4POO SAM 11.5
491 2DBZ NAP 11.6766
492 2YVJ NAI 11.7486
493 2FZW NAD 11.7486
494 4TQG NDP 11.7647
495 1GZ6 NAI 11.9122
496 5ZW3 SAH 12
497 3BAZ NAP 12.012
498 1CDO NAD 12.0219
499 1R37 NAD 12.1037
500 1R37 ETX 12.1037
501 1A5Z NAD 12.5392
502 2JHF NAD 12.5683
503 1SOW NAD 12.8049
504 5L95 AMP 12.9032
505 5BSH PRO 12.9964
506 3AD8 NAD 13.1148
507 1P0F NAP 13.6612
508 3ULK NDP 13.6612
509 5KVS NAP 13.6612
510 5KVS 6XR 13.6612
511 1REO FAD 13.9344
512 4OOE NDP 14.2077
513 4YRY FAD 14.2077
514 6F3M NAD 14.7541
515 5O9F 9ON 15.0568
516 5O9F NAD 15.0568
517 1EZ4 NAD 15.7233
518 1VL8 NAP 15.7303
519 1U3U BNF 16.1202
520 1U3U NAD 16.1202
521 2GAG NAD 16.3934
522 2BKX F6R 16.5289
523 4W6Z ETF 16.7147
524 4W6Z 8ID 16.7147
525 1YJQ NAP 16.8317
526 4JK3 NAD 16.9884
527 4J4H 1J1 16.9884
528 4J4H NAI 16.9884
529 3RNM FAD 17.2414
530 4GKV NAD 17.2619
531 2ZJ1 NAD 17.4863
532 2ZJ1 ARJ 17.4863
533 5YEC ATP 18.2353
534 4II2 ATP 19.0184
535 1H2B NAJ 19.7772
536 4IDC 1XX 20.1807
537 4IDC NDP 20.1807
538 1W73 NAP 20.1987
539 1W8D NAP 20.1987
540 4OM8 NAD 20.3883
541 2PV7 NAD 20.4698
542 4PIV NDP 20.765
543 1RJW ETF 21.8289
544 1KOL NAD 22.4044
545 1YB5 NAP 22.5071
546 1W6U NAP 22.8477
547 3WLE NAD 23.4604
548 1LTH NAD 24.4514
549 2BOS GLA GAL GLC NBU 25
550 2BMZ XLM 26.2411
551 1YQD NAP 30.0546
552 5VKT NAP 30.1105
553 3GFB NAD 34
554 1PL6 NAD 35.9551
555 1PL6 572 35.9551
556 3TWO NDP 36.2069
557 5EIN NAP 37.037
558 2DFV NAD 37.7522
559 4JBI NDP 37.9781
560 1LLU NAD 44.4444
Pocket No.: 2; Query (leader) PDB : 2CDC; Ligand: XYS; Similar sites found with APoc: 63
This union binding pocket(no: 2) in the query (biounit: 2cdc.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5UC9 MYR 0.884956
3 3TKY N7I 1.63934
4 4Y30 SAH 1.7094
5 2DDH HXD 1.91257
6 3QVP FAD 2.18579
7 5F7R GLC GLC 2.45902
8 1GOT GDP 2.64706
9 5DX3 EST 2.68199
10 5DXG EST 2.68199
11 5ISY NAD 2.7027
12 4MGB XDH 2.7451
13 4MG9 27K 2.7451
14 4MG7 27H 2.7451
15 2BJ4 OHT 2.77778
16 5AAV GW5 2.77778
17 3UUD EST 2.78884
18 4E2J MOF 2.8
19 1U3R 338 2.90456
20 3OLL EST 2.91667
21 4J24 EST 2.91667
22 4A69 I0P 3.19149
23 5W3K NDP 3.23529
24 5W3K 9TY 3.23529
25 3V1S 0LH 3.41615
26 1BH2 GSP 3.49206
27 2Y0E UGA 3.55191
28 4NKW PLO 3.55191
29 1ZCB GDP 3.59116
30 2EV1 OLA 3.6036
31 1L1E SAH 3.83275
32 3CX8 GSP 3.94089
33 3AB3 GDP 4.06504
34 1KPG SAH 4.18118
35 4UHF BUA 4.25532
36 5D85 FLC 4.29448
37 4W4S B29 4.33333
38 4DM8 REA 4.49438
39 1XAP TTB 4.49438
40 2ZBL BMA 4.64481
41 4B2Z P5S 4.91071
42 4COL DTP 4.91803
43 4RF2 NAP 5.14706
44 6AD9 KK4 5.22648
45 1F5N GNP 5.46448
46 3G4Q MCH 6.16438
47 5ZZ6 NAD 6.25
48 1XVB BHL 6.28415
49 1X6V ADP 6.28415
50 4MLN ODV 7.65306
51 2X1L ADN 8.19672
52 2RIF AMP 9.21986
53 5B0W 22B 9.27835
54 5LGA 6VH 10
55 5O96 SAM 10.2041
56 3KYQ DPV 10.5528
57 5F91 5WJ 10.929
58 1KQB FMN 12.4424
59 5CSD ACD 12.5786
60 1ICV FMN 12.9032
61 5AHW CMP 16.3265
62 1L0I PSR 17.9487
63 2OM2 GDP 30.5556
Pocket No.: 3; Query (leader) PDB : 2CDC; Ligand: XYS; Similar sites found with APoc: 50
This union binding pocket(no: 3) in the query (biounit: 2cdc.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1YNQ NDP 1.89274
2 1RE9 DSO 1.91257
3 4LZJ 22H 1.9802
4 2GWH A3P 2.01342
5 4RJK TPP 2.18579
6 5N7O 69Y 2.26244
7 1QX4 FAD 2.55474
8 4POJ 2VP 2.5974
9 4M8E 29V 2.5974
10 5WGQ EST 2.68199
11 2DM6 NAP 2.7027
12 2QZO KN1 2.71318
13 2QA8 GEN 2.71318
14 1NY5 ADP 2.73224
15 1SVK ALF GDP 3.11615
16 1GP2 GDP 3.11615
17 2ODE ALF GDP 3.14286
18 5EYT AMP 3.27869
19 1Y3A GDP 3.34347
20 6BYM HC3 3.44828
21 4CDN FO1 3.55191
22 1N0U SO1 3.82514
23 4QC6 30N 3.91061
24 5KDO GDP 4.05405
25 3ZZH NLG 4.23453
26 6CRK GDP 4.2471
27 3KMZ EQO 4.51128
28 3SQG TP7 4.91803
29 1HG4 LPP 5.01792
30 5NUE NAD 5.12048
31 5NUF NAD 5.12048
32 1TAD ALF 5.24691
33 1TAD GDP 5.24691
34 6BCA GSP 5.40541
35 1FQK GDP 5.44218
36 1FM9 9CR 5.51471
37 4Z87 GDP 6.01093
38 1YMT DR9 6.50407
39 5EP2 AZU 6.64062
40 1RP0 AHZ 7.04225
41 1VCE SAH 8.30189
42 4O0L NDP 8.36364
43 4QJR PIZ 9.38776
44 1FQJ GDP 9.52381
45 1ZDT PEF 9.54357
46 5HR5 ADP 12.8415
47 1YKI NFZ 12.9032
48 1YKI FMN 12.9032
49 4ZOH MCN 14.2857
50 6BCB GSP 15.0685
Pocket No.: 4; Query (leader) PDB : 2CDC; Ligand: XYS; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 2cdc.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4M26 ZZU 2.74725
2 4M26 SIN 2.74725
3 4ZW9 BGC 3.82514
4 4ZW9 GLC 3.82514
5 1T36 ADP 4.09836
6 2WET FAD 4.09836
7 1LQY BB2 4.34783
8 6B92 SAH 5.10204
9 1CS4 GSP 7.55556
10 3WXM GTP 8.46994
11 4OIV XX9 9.73451
12 5JCM FAD 10.6557
13 5JCM ISD 10.6557
14 5JCM NAD 10.6557
15 2YVJ FAD 11.7486
16 1KQB BEZ 12.4424
17 5KVS NAP 13.6612
Pocket No.: 5; Query (leader) PDB : 2CDC; Ligand: NAP; Similar sites found with APoc: 745
This union binding pocket(no: 5) in the query (biounit: 2cdc.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 3EF0 ALF 0.819672
2 4YT4 FE9 1.36612
3 4ZCC NAI 1.4881
4 4ZCC FAD 1.4881
5 5NM7 GLY 1.50376
6 4PLT NAI 1.51057
7 4PLT OXM 1.51057
8 3RKR NAP 1.52672
9 1MUU NAD 1.63934
10 1DLJ NAI 1.63934
11 1DLJ UGA 1.63934
12 1MV8 NAD 1.63934
13 2NAD NAD 1.63934
14 1U1I NAD 1.63934
15 2FWP ICR 1.63934
16 1O6Z NAD 1.65016
17 1EBF NAD 1.67598
18 2I3G NAP 1.70455
19 5UR0 NAD 1.7192
20 1NE7 AGP 1.7301
21 1XG5 NAP 1.79211
22 2CVQ NDP 1.83486
23 3JYN NDP 1.84615
24 3S5W NAP 1.91257
25 1VJT NAD 1.91257
26 3A06 NDP 1.91257
27 3ETG GLU 1.91257
28 1GR0 NAD 1.91257
29 1TB4 PEJ 1.91257
30 1GQ2 NAP 1.91257
31 3ETG NDP 1.91257
32 3S5W FAD 1.91257
33 3ETG GTP 1.91257
34 3A06 FOM 1.91257
35 1LJ8 NAD 1.91257
36 1QMG APX 1.91257
37 1M2W NAD 1.91257
38 3C3D FO1 1.92926
39 1GUZ NAD 1.93548
40 4TSK NDP 2
41 3L4S NAD 2.08333
42 3L4S 3PG 2.08333
43 4Z0H NAD 2.09581
44 6A0S HSE 2.10843
45 6A0S NDP 2.10843
46 5UAV NDP 2.17391
47 5UAV TFB 2.17391
48 3L9W AMP 2.18579
49 2QRK AMP 2.18579
50 4Y1B NAP 2.18579
51 5EOW FAD 2.18579
52 1VKO NAD 2.18579
53 5O4J PJL 2.18978
54 5O4J SAH 2.18978
55 5O4J 9KH 2.18978
56 1AE1 NAP 2.1978
57 1HKU NAD 2.23464
58 5KKA 6V0 2.24359
59 1BXK NAD 2.25352
60 1I36 NAP 2.27273
61 3WV8 ATP 2.29358
62 3WBF API 2.29508
63 3WBF NAP 2.29508
64 5ZI2 NAD 2.31884
65 5ZI2 ADP 2.31884
66 5Y8L NAD 2.37288
67 5Y8L HUI 2.37288
68 5U5G NAP 2.37288
69 1DSS NAD 2.4024
70 3B1F NAD 2.41379
71 2VHW NAI 2.45902
72 4OPC PGT 2.45902
73 4OPC FDA 2.45902
74 4A0S NAP 2.45902
75 2D3N GLC GLC GLC 2.45902
76 1E1M NAP 2.45902
77 1E1M FAD 2.45902
78 3E1T FAD 2.45902
79 4U8P FDA 2.45902
80 3KLJ FAD 2.45902
81 4U8P UDP 2.45902
82 5KOX RFP 2.45902
83 2GMH FAD 2.45902
84 5KOX FAD 2.45902
85 1UAY ADN 2.47934
86 5TVA AMP 2.5
87 5LD5 NAD 2.51397
88 1YS4 NAP 2.54237
89 5XVH NAP 2.61438
90 4OSP NAP 2.6616
91 4NTC FAD 2.68657
92 2DM6 IMN 2.7027
93 2AHR NAP 2.7027
94 2DM6 NAP 2.7027
95 3AFN NAP 2.71318
96 3K5I AIR 2.72953
97 3OND NAD 2.73224
98 3OND ADN 2.73224
99 2O4C NAD 2.73224
100 5BUK FAD 2.73224
101 1RSG FAD 2.73224
102 1YY5 FAD 2.73224
103 1RM0 D6P 2.73224
104 5EZ7 FAD 2.73224
105 1RM0 NAI 2.73224
106 2DKH FAD 2.73224
107 6F5W KG1 2.73224
108 2DKH 3HB 2.73224
109 4B63 FAD 2.73224
110 4B63 ORN 2.73224
111 4B63 NAP 2.73224
112 5GZ6 7C3 2.76074
113 5GZ6 NDP 2.76074
114 3FPZ AHZ 2.76074
115 1SAY PYR 2.77008
116 3AB1 FAD 2.77778
117 4DPL NAP 2.78552
118 2VT3 ATP 2.7907
119 1SGJ OAA 2.8169
120 3KIF GDL 2.83019
121 4CQM NAP 2.86885
122 3ZNN FAD 2.88184
123 3ZNN 4WL 2.88184
124 3WGT FAD 2.88184
125 3WGT QSC 2.88184
126 3O9Z NAD 2.88462
127 3O9Z AKG 2.88462
128 4IF4 BEF 2.88462
129 1GV0 NAD 2.90323
130 4JJF FE9 2.90698
131 4JJF N2I 2.90698
132 1HYH NAD 2.91262
133 4B7X NAP 2.97619
134 5AHO TLA 2.97619
135 2C49 ADN 2.98013
136 3KB6 NAD 2.99401
137 1VI2 NAD 3
138 4KVL PLM 3.00546
139 1X14 NAD 3.00546
140 5YAP NAI 3.00546
141 2GV8 NDP 3.00546
142 5YAP 8S0 3.00546
143 2B4R NAD 3.00546
144 2GSD NAD 3.00546
145 2B4R AES 3.00546
146 5TUF TDC 3.00546
147 4D04 FAD 3.00546
148 4D04 NAP 3.00546
149 5TS5 FAD 3.00546
150 3AXB PRO 3.00546
151 3AXB FAD 3.00546
152 1VQW FAD 3.00546
153 2GVC FAD 3.00546
154 2VVL FAD 3.00546
155 5JWC FAD 3.00546
156 4EIP FAD 3.00546
157 3GD4 FAD 3.00546
158 5TUF FAD 3.00546
159 2VVM FAD 3.00546
160 2GV8 FAD 3.00546
161 3GD4 NAD 3.00546
162 4BV6 FAD 3.00546
163 4BJZ P3A 3.00546
164 4BJZ FAD 3.00546
165 4KP7 NAP 3.00546
166 4KP7 1UQ 3.00546
167 3WQQ NDP 3.00546
168 3WQQ IB3 3.00546
169 1J0X NAD 3.01205
170 5DN9 NAD 3.02198
171 2AG8 NAP 3.04183
172 6GNC FAD 3.06122
173 3H8V ATP 3.08219
174 1TE2 PGA 3.09735
175 1NPD NAD 3.125
176 5OVK NDP 3.125
177 1KEV NDP 3.1339
178 6GAR FAD 3.15186
179 1WPQ NAD 3.15186
180 1OC2 NAD 3.16092
181 1OC2 TDX 3.16092
182 1J5P NAD 3.16206
183 5Z20 NAI 3.18841
184 5TWB FAD 3.19767
185 5A96 GTP 3.21285
186 3VPH NAD 3.22581
187 3VPH OXM 3.22581
188 5W3K 9TY 3.23529
189 5W3K NDP 3.23529
190 1UXG NAD 3.23625
191 1UXG FUM 3.23625
192 3AYI HCI 3.27869
193 2C7G ODP 3.27869
194 2C7G FAD 3.27869
195 5J7X FAD 3.27869
196 3AYI FAD 3.27869
197 3CGB FAD 3.27869
198 5I39 FAD 3.27869
199 6C4M NAP 3.27869
200 2RGJ FAD 3.27869
201 2ZXI FAD 3.27869
202 6C4N NAP 3.27869
203 5ZYN FAD 3.27869
204 4RPL FAD 3.27869
205 4RPL 3UC 3.27869
206 2V6G NAP 3.2967
207 6F9Q NAD 3.30882
208 6GAS FAD 3.32326
209 2QA1 FAD 3.4
210 1ZEM NAD 3.43511
211 1F06 2NP 3.4375
212 1F06 NDP 3.4375
213 2CUL FAD 3.44828
214 4YKG NAD 3.45489
215 4YKG FAD 3.45489
216 3H9E NAD 3.46821
217 1P1C SAH 3.51759
218 3OZ2 FAD 3.52645
219 1PJS NAD 3.55191
220 5MQ6 NDP 3.55191
221 6A3J NAI 3.55191
222 2WPF FAD 3.55191
223 2WPF WPF 3.55191
224 5GSN FAD 3.55191
225 2IXB A2G 3.55191
226 6A3J SOE 3.55191
227 5GSN NAP 3.55191
228 4MIG G3F 3.55191
229 5GSN MMZ 3.55191
230 5TUK FAD 3.55191
231 2IXB NAD 3.55191
232 4K5S FAD 3.55191
233 6FHO FAD 3.55191
234 4K5S PM0 3.55191
235 5NII FAD 3.55987
236 3V1Y NAD 3.56083
237 3HAD NAD 3.57143
238 5U5N NAD 3.58423
239 4PLG NAI 3.59281
240 4PLG OXM 3.59281
241 1DIG L37 3.59477
242 1DIG NAP 3.59477
243 2VYN NAD 3.62538
244 3DAG FEG 3.63128
245 3WMX NAD 3.63128
246 1LDM NAD 3.64742
247 3QV1 NAD 3.65854
248 2A8X FAD 3.66379
249 1OMO NAD 3.72671
250 1LC3 NAD 3.7415
251 4JDR FAD 3.82514
252 4XYB NDP 3.82514
253 4J36 1HR 3.82514
254 4J36 FAD 3.82514
255 1FEC FAD 3.82514
256 6F7L FAD 3.82514
257 4DSG FAD 3.82514
258 4DSG UDP 3.82514
259 1HYE NAP 3.83387
260 5CAE SIN 3.83387
261 5CAE COA 3.83387
262 1ZQ9 SAM 3.85965
263 1EQ2 NAP 3.87097
264 2FKA BEF 3.87597
265 3CMC NAD 3.89222
266 6CEP OXM 3.89222
267 6CEP NAD 3.89222
268 4RVU NDP 3.91566
269 4Y9D NAI 3.93443
270 1XTP SAI 3.93701
271 2F1K NAP 3.94265
272 5L4L NAP 3.94737
273 2HJR APR 3.96341
274 5JE8 NAD 3.97351
275 5XJ7 87O 3.9801
276 3NGL NAP 3.98551
277 3G2O SAM 4.01338
278 3Q3C NAD 4.01338
279 1V59 NAD 4.09836
280 1V59 FAD 4.09836
281 5BVA FAD 4.09836
282 1H82 GZZ 4.09836
283 3NYC IAR 4.09836
284 3NYC FAD 4.09836
285 1H82 FAD 4.09836
286 1BZL GCG 4.09836
287 1E5Q NDP 4.09836
288 4MOP 2H5 4.09836
289 1BZL FAD 4.09836
290 1RYI GOA 4.09836
291 1RYI FAD 4.09836
292 3AKI AH8 4.09836
293 3QFA FAD 4.09836
294 1O0S NAI 4.09836
295 2AQJ FAD 4.09836
296 2AQJ TRP 4.09836
297 4EDF UPG 4.09836
298 4TM3 FAD 4.09836
299 1Y8Q ATP 4.09836
300 2WET FAD 4.09836
301 3G5S FAD 4.09836
302 3GVL SLB SIA 4.09836
303 1KNR FAD 4.09836
304 3IHG FAD 4.09836
305 3LXD FAD 4.09836
306 1Q1R FAD 4.09836
307 5F5N NAD 4.15225
308 1X87 NAD 4.17423
309 4MDH NAD 4.19162
310 5MDH NAD 4.2042
311 1SC6 NAD 4.20792
312 2D2I NAP 4.21053
313 4E13 NAD 4.24028
314 1B8U OAA 4.25532
315 1B8U NAD 4.25532
316 1JG3 ADN 4.25532
317 2DT5 NAD 4.2654
318 2G5C NAD 4.27046
319 1XXR MAN