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Receptor
PDB id Resolution Class Description Source Keywords
1YKF 2.5 Å EC: 1.1.1.2 NADP-DEPENDENT ALCOHOL DEHYDROGENASE FROM THERMOANAEROBIUM BROCKII THERMOANAEROBACTER BROCKII OXIDOREDUCTASE
Ref.: NADP-DEPENDENT BACTERIAL ALCOHOL DEHYDROGENASES: CRYSTAL STRUCTURE, COFACTOR-BINDING AND COFACTOR SPECIFICITY OF THE ADHS OF CLOSTRIDIUM BEIJERINCKII AND THERMOANAEROBACTER BROCKII. J.MOL.BIOL. V. 278 967 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:353;
B:353;
C:353;
D:353;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
ZN A:354;
B:354;
C:354;
D:354;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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
1YKF 2.5 Å EC: 1.1.1.2 NADP-DEPENDENT ALCOHOL DEHYDROGENASE FROM THERMOANAEROBIUM BROCKII THERMOANAEROBACTER BROCKII OXIDOREDUCTASE
Ref.: NADP-DEPENDENT BACTERIAL ALCOHOL DEHYDROGENASES: CRYSTAL STRUCTURE, COFACTOR-BINDING AND COFACTOR SPECIFICITY OF THE ADHS OF CLOSTRIDIUM BEIJERINCKII AND THERMOANAEROBACTER BROCKII. J.MOL.BIOL. V. 278 967 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1YKF - 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 5 families.
1 1YKF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1KEV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YKF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1KEV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YKF; Ligand: NAP; Similar sites found with APoc: 715
This union binding pocket(no: 1) in the query (biounit: 1ykf.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1DSS NAD 0.900901
2 5KVS NAP 1.42045
3 3ZNN FAD 1.44092
4 3ZNN 4WL 1.44092
5 5X68 FAD 1.53453
6 5O98 NAP 1.57729
7 5TC4 NAD 1.58228
8 1GUZ NAD 1.6129
9 1O6Z NAD 1.65016
10 2GSD NAD 1.70455
11 4XFR CIT 1.70455
12 1UWK NAD 1.70455
13 1UWK URO 1.70455
14 2RGH FAD 1.70455
15 1RYI GOA 1.70455
16 4D04 NAP 1.70455
17 4D04 FAD 1.70455
18 1RYI FAD 1.70455
19 1UP7 NAD 1.70455
20 1CER NAD 1.81269
21 2VT3 ATP 1.86047
22 2P3V SRT 1.95312
23 4MUQ LY0 1.96078
24 4MUQ 2D8 1.96078
25 5X9D 80F 1.97368
26 2CDU ADP 1.98864
27 1C1X NAD 1.98864
28 2WPF FAD 1.98864
29 2WPF WPF 1.98864
30 1BXG NAD 1.98864
31 4M52 FAD 1.98864
32 4M52 M52 1.98864
33 1BW9 NAD 1.98864
34 2A8X FAD 1.98864
35 4J56 FAD 1.98864
36 2R4J 13P 1.98864
37 2R4J FAD 1.98864
38 4OPC FDA 1.98864
39 4OPC PGT 1.98864
40 5EOW FAD 1.98864
41 6F7L FAD 1.98864
42 5ZI2 NAD 2.02899
43 5ZI2 ADP 2.02899
44 2YN4 39J 2.11864
45 1DRV A3D 2.1978
46 1TDF NAP 2.21519
47 1TDF FAD 2.21519
48 1HYH NAD 2.26537
49 4ZGS NAD 2.27273
50 2IXB NAD 2.27273
51 1LVL FAD 2.27273
52 1LVL NAD 2.27273
53 5TUF TDC 2.27273
54 5TUF FAD 2.27273
55 4LYA ATP 2.27273
56 4MOP 2H5 2.27273
57 3M89 GSP 2.27273
58 2IXB A2G 2.27273
59 1E1M FAD 2.27273
60 1E1M NAP 2.27273
61 5XVH NAP 2.28758
62 3WGT FAD 2.30548
63 3WGT QSC 2.30548
64 5N6C NAD 2.33333
65 2DT5 NAD 2.36967
66 1M1B SPV 2.37288
67 3ORF NAD 2.39044
68 2GCG NDP 2.42424
69 1EDO NAP 2.45902
70 1A5Z NAD 2.50784
71 5U5N NAD 2.50896
72 5BSH PRO 2.52708
73 1KYQ NAD 2.55474
74 3LAD FAD 2.55682
75 1Q0H NDP 2.55682
76 1Q0H FOM 2.55682
77 5U8U FAD 2.55682
78 3AB1 FAD 2.55682
79 1MO9 KPC 2.55682
80 3KLJ FAD 2.55682
81 1MO9 FAD 2.55682
82 4BV6 FAD 2.55682
83 3GD4 FAD 2.55682
84 5GUD NDP 2.55682
85 3GD4 NAD 2.55682
86 5GUD 2IT 2.55682
87 5YAP NAI 2.55682
88 5BRT FAD 2.55682
89 5BRT CH9 2.55682
90 2QRK AMP 2.55682
91 4AP3 NAP 2.55682
92 4AP3 FAD 2.55682
93 5YAP 8S0 2.55682
94 6F97 FAD 2.55682
95 1KC7 PPR 2.55682
96 5GUD CIT 2.55682
97 2DKH FAD 2.55682
98 6EL3 NAP 2.55682
99 5JE8 NAD 2.64901
100 2O1C PPV 2.66667
101 6CEP OXM 2.69461
102 6CEP NAD 2.69461
103 2AHR NAP 2.7027
104 4ZVV GN0 2.71084
105 4ZVV NAD 2.71084
106 9LDT NAD 2.71084
107 9LDB NAD 2.71084
108 3P7G MAN 2.73973
109 2Q7V FAD 2.76923
110 2NU8 COA 2.77778
111 2JFN GLU 2.80702
112 1JAY NAP 2.83019
113 1HKU NAD 2.84091
114 1V8B NAD 2.84091
115 1KJ8 GAR 2.84091
116 3K5I AIR 2.84091
117 1GQ2 NAP 2.84091
118 1FEC FAD 2.84091
119 2YVF FAD 2.84091
120 2YVF NAD 2.84091
121 1SC6 NAD 2.84091
122 5MZI FYK 2.84091
123 1XHC FAD 2.84091
124 5MZI FAD 2.84091
125 5Y77 FAD 2.84091
126 3T31 FAD 2.84091
127 3T31 DCQ 2.84091
128 3NYC FAD 2.84091
129 3NYC IAR 2.84091
130 3E1T FAD 2.84091
131 2AQJ FAD 2.84091
132 2AQJ TRP 2.84091
133 3L9W AMP 2.84091
134 1P31 EPU 2.84091
135 4B63 ORN 2.84091
136 4B63 NAP 2.84091
137 4B63 FAD 2.84091
138 1GQ2 OXL 2.84091
139 5LD5 NAD 2.84091
140 2E5V FAD 2.84091
141 2GV8 FAD 2.84091
142 3L9W GSH 2.84091
143 2GVC FAD 2.84091
144 1VQW FAD 2.84091
145 5YU3 PRO 2.90698
146 5YU3 NAD 2.90698
147 5AYV KPL 2.91262
148 5AYV NAP 2.91262
149 4OM8 NAD 2.91262
150 2YYY NAP 2.91545
151 5A1T NAI 2.93255
152 5A1T OXM 2.93255
153 1P77 ATR 2.94118
154 1NYT NAP 2.95203
155 1RM4 NDP 2.96736
156 4BVA NDP 2.98507
157 4BVA T3 2.98507
158 4MDH NAD 2.99401
159 1VI2 NAD 3
160 5MDH NAD 3.003
161 1QH9 LAC 3.01724
162 4E5N NAD 3.0303
163 1SAY PYR 3.04709
164 5ZI9 FLC 3.07692
165 1GZ4 ATP 3.0853
166 3B1F NAD 3.10345
167 1OMO NAD 3.10559
168 3C1O NAP 3.11526
169 4XYB NDP 3.125
170 1NPD NAD 3.125
171 3OJO NAD 3.125
172 1YKJ FAD 3.125
173 1YKJ PHB 3.125
174 5FPN KYD 3.125
175 5J60 FAD 3.125
176 5MQ6 NDP 3.125
177 1X87 NAD 3.125
178 3AXB PRO 3.125
179 3AXB FAD 3.125
180 1I2B UPG 3.125
181 1I2B USQ 3.125
182 1I2B NAD 3.125
183 4R5M 4NO 3.125
184 4YRY NAD 3.125
185 1PN0 FAD 3.125
186 4YRY FAD 3.125
187 1PN0 IPH 3.125
188 4R5M NAP 3.125
189 5ZYN FAD 3.125
190 3CTY FAD 3.1348
191 5L4S NAP 3.14465
192 5L4S 6KX 3.14465
193 1ZQ9 SAM 3.15789
194 4D06 NAR 3.18021
195 2Q0L NAP 3.21543
196 2Q0L FAD 3.21543
197 4D3F NAP 3.22581
198 4MP8 MLI 3.24484
199 4MP8 NAD 3.24484
200 4L8V NAP 3.2641
201 1DIG NAP 3.26797
202 1DIG L37 3.26797
203 3CMC NAD 3.29341
204 4PLT NAI 3.32326
205 6GAS FAD 3.32326
206 4PLT OXM 3.32326
207 5D4V SAH 3.35821
208 5YEC ATP 3.36134
209 5MIT NAP 3.36391
210 5MIT FAD 3.36391
211 1PJS NAD 3.40909
212 3SQP FAD 3.40909
213 4J36 1HR 3.40909
214 4J36 FAD 3.40909
215 3A06 FOM 3.40909
216 1E5Q NDP 3.40909
217 3A06 NDP 3.40909
218 1PS9 NAP 3.40909
219 1PS9 FAD 3.40909
220 1ZGS XMM 3.40909
221 5TS5 FAD 3.40909
222 3GMB FAD 3.40909
223 5HXI 5HN 3.40909
224 5HXI FAD 3.40909
225 5N0J FAD 3.4188
226 2O4C NAD 3.42105
227 2EV9 NAP 3.42205
228 2EV9 SKM 3.42205
229 6GAR FAD 3.4384
230 3QFA FAD 3.44828
231 1LUA NAP 3.48432
232 1NVT NAP 3.48432
233 4NTD FAD 3.52941
234 4K5S FAD 3.54478
235 4K5S PM0 3.54478
236 3QV1 NAD 3.56083
237 3WBF NAP 3.60656
238 3WBF API 3.60656
239 3LZW NAP 3.61446
240 3LZW FAD 3.61446
241 5A96 GTP 3.61446
242 4DPL NAP 3.62117
243 5K0A FAD 3.63636
244 5T9E NAP 3.69004
245 2RHO GDP 3.69231
246 2VHW NAI 3.69318
247 3ABI NAD 3.69318
248 5BVA FAD 3.69318
249 1WDK NAD 3.69318
250 5JCM FAD 3.69318
251 5JCM ISD 3.69318
252 5JCM NAD 3.69318
253 5UAO FAD 3.69318
254 1O94 ADP 3.69318
255 2YRX AMP 3.69318
256 1D4D FAD 3.69318
257 2WET FAD 3.69318
258 3OZ2 FAD 3.69318
259 5GSN FAD 3.69318
260 5GSN NAP 3.69318
261 2QA1 FAD 3.69318
262 5MLR NAP 3.69318
263 5MLR GRQ 3.69318
264 1DJN ADP 3.69318
265 4CNK FAD 3.69318
266 5GSN MMZ 3.69318
267 6A3J NAI 3.69318
268 3FG2 FAD 3.69318
269 6H3O FAD 3.69318
270 4YT4 FE9 3.69318
271 3F8D FAD 3.71517
272 1FWV SGA MAG FUC 3.73134
273 2CVZ NDP 3.80623
274 1WP4 NDP 3.80623
275 5KKA 6V0 3.84615
276 5JCA NDP 3.87324
277 5JCA FAD 3.87324
278 2CVQ NDP 3.97554
279 4KP7 NAP 3.97727
280 1GET FAD 3.97727
281 1GET NAP 3.97727
282 4KP7 1UQ 3.97727
283 2RAB NAD 3.97727
284 3WQQ NDP 3.97727
285 3WQQ IB3 3.97727
286 2RAB FAD 3.97727
287 2HQM FAD 3.97727
288 5BUK FAD 3.97727
289 5BJX NAD 3.97727
290 5BJX UDP 3.97727
291 1K3T BRZ 3.97727
292 1TUU AMP 3.97727
293 2V6G NAP 3.97727
294 3FPZ AHZ 3.98773
295 5T9F NAP 4.05904
296 5T9F TYR 4.05904
297 1C3V NDP 4.08163
298 3THR C2F 4.09556
299 4JNA FAD 4.11765
300 3WV8 ATP 4.12844
301 1SQS TLA 4.13223
302 4NTC FAD 4.1791
303 1X14 NAD 4.2394
304 1GAD NAD 4.24242
305 3VY6 BGC BGC 4.25532
306 2I3G NAP 4.26136
307 1EBF NAD 4.26136
308 1F8G NAD 4.26136
309 2AWN ADP 4.26136
310 5E4R NAP 4.26136
311 3QVP FAD 4.26136
312 2XVF FAD 4.26136
313 2IZ1 ATR 4.26136
314 4AGS GSH 4.26136
315 3S5W NAP 4.26136
316 1SOW NAD 4.26829
317 4KQW NAP 4.28571
318 5N2I NAP 4.31034
319 4IF4 BEF 4.32692
320 4XDZ NDP 4.37318
321 5ZHW DAL DAL 4.38596
322 4XDY NAI 4.43787
323 6A6A DAL 4.44444
324 1CF2 NAP 4.45104
325 4KOA NDP 4.5045
326 5NUE NAD 4.51807
327 5NUF NAD 4.51807
328 1PZG A3D 4.53172
329 2CDC XYP 4.54545
330 2CDC XYS 4.54545
331 2CDC NAP 4.54545
332 1YS4 NAP 4.54545
333 4TXI FAD 4.54545
334 6AIN FAD 4.54545
335 2XVE FAD 4.54545
336 1B8U OAA 4.54545
337 1B8U NAD 4.54545
338 2BRY FAD 4.54545
339 1REO FAD 4.54545
340 4TSK NDP 4.57143
341 1OC2 NAD 4.5977
342 1OC2 TDX 4.5977
343 3NGL NAP 4.71014
344 3WMX THR 4.7486
345 1DQN IMU 4.78261
346 3BAZ NAP 4.8048
347 1VDC FAD 4.8048
348 5ZZ6 NAD 4.80769
349 5ZZ6 ADP 4.80769
350 1J0X NAD 4.81928
351 5FJN BE2 4.82456
352 5FJN FAD 4.82456
353 4XQC 13D 4.82955
354 6FHO FAD 4.82955
355 3UCL NAP 4.82955
356 3LXD FAD 4.82955
357 4BJZ FAD 4.82955
358 4BJZ P3A 4.82955
359 3ETG GLU 4.82955
360 5NMX NAP 4.82955
361 3UCL FAD 4.82955
362 3UCL CYH 4.82955
363 3ETG NDP 4.82955
364 2GMH FAD 4.82955
365 3ETG GTP 4.82955
366 4XQC NAD 4.82955
367 1GV0 NAD 4.83871
368 5Z2F NAP 4.90566
369 3H9E NAD 4.91329
370 3I6I NDP 4.91329
371 4BWL MN9 4.93421
372 5TWB FAD 4.94186
373 2GN4 UD1 4.94186
374 2GN4 NDP 4.94186
375 3Q3C NAD 5.01672
376 2NAD NAD 5.11364
377 1GR0 NAD 5.11364
378 4UP4 GAL NAG 5.11364
379 2D2I NAP 5.11364
380 5KOX FAD 5.11364
381 5KOX RFP 5.11364
382 1J5P NAD 5.11364
383 6C4M NAP 5.11364
384 2YG3 FAD 5.11364
385 1Q9I TEO 5.11364
386 1Q9I FAD 5.11364
387 1T9D FAD 5.11364
388 1T9D 1MM 5.11364
389 1T9D P25 5.11364
390 1T9D PYD 5.11364
391 4OKD GLC GLC GLC 5.11364
392 1V6A TRE 5.12048
393 3H8V ATP 5.13699
394 1WPQ NAD 5.15759
395 1LDM NAD 5.16717
396 2CUL FAD 5.17241
397 6GNA FAD 5.20833
398 5GZ6 NDP 5.21472
399 5GZ6 7C3 5.21472
400 5EES NAP 5.26316
401 1I36 NAP 5.30303
402 3B1J NAD 5.30973
403 3B20 NAD 5.30973
404 5GT9 NAP 5.32319
405 2G5C NAD 5.33808
406 1R6D DAU 5.34125
407 1R6D NAD 5.34125
408 3KB6 NAD 5.38922
409 4Z0H NAD 5.38922
410 1V59 FAD 5.39773
411 1BZL GCG 5.39773
412 1BZL FAD 5.39773
413 5EZ7 FAD 5.39773
414 5HSA FAS 5.39773
415 5VN0 FAD 5.39773
416 5VN0 NAI 5.39773
417 1V59 NAD 5.39773
418 5U5G NAP 5.42373
419 4YCA NDP 5.44218
420 3HGM ATP 5.44218
421 3O9Z NAD 5.44872
422 3O9Z AKG 5.44872
423 2JAC GSH 5.45455
424 2HJR APR 5.4878
425 2PHU MAN MAN 5.55556
426 2GND MAN 5.55556
427 5Z21 NAI 5.58659
428 1T26 NAI 5.59006
429 1T26 GBD 5.59006
430 5UAV NDP 5.59006
431 5UAV TFB 5.59006
432 3ITJ FAD 5.6213
433 3ITJ CIT 5.6213
434 6AA8 NAD 5.62914
435 3V1Y NAD 5.63798
436 3L4S NAD 5.65476
437 3L4S 3PG 5.65476
438 3UOY FAD 5.68182
439 3UOY NAP 5.68182
440 1U1I NAD 5.68182
441 6C4N NAP 5.68182
442 4USQ FAD 5.68182
443 5JY6 NAD 5.68182
444 1GTE FAD 5.68182
445 5Y8L NAD 5.76271
446 5Y8L HUI 5.76271
447 1NVM NAD 5.76923
448 3GD8 GOL 5.8296
449 2Q46 NAP 5.92885
450 2R00 OEG 5.95238
451 4JDR FAD 5.96591
452 2IVD FAD 5.96591
453 4WAS COO 5.96591
454 4WAS NAP 5.96591
455 1N9G NAP 5.96591
456 1EZ4 NAD 5.97484
457 5TQZ GLC 6
458 4E13 NAD 6.00707
459 5NM7 GLY 6.01504
460 5UR0 NAD 6.01719
461 2GAG FOA 6.06061
462 2GAG FAD 6.06061
463 2GAG NAD 6.06061
464 1HYE NAP 6.07029
465 3HB5 NAP 6.11621
466 4JK3 NAD 6.17761
467 4EDF UPG 6.25
468 4CM4 4NR 6.25
469 4CM9 YGL 6.25
470 2RGJ FAD 6.25
471 5OC1 FAD 6.25
472 5JCJ 6JM 6.25
473 2BHZ MAL 6.25
474 2B9W FAD 6.25
475 2OOR NAD 6.32184
476 1RP0 AHZ 6.33803
477 4YSX FAD 6.38298
478 3VPH NAD 6.45161
479 3VPH OXM 6.45161
480 3ICS ADP 6.53409
481 3ICT ADP 6.53409
482 4A0S NAP 6.53409
483 4MIG G3F 6.53409
484 5I39 FAD 6.53409
485 1GPE FAD 6.53409
486 3AYI FAD 6.53409
487 3AYI HCI 6.53409
488 2HK9 ATR 6.54545
489 2HK9 NAP 6.54545
490 1VM6 NAD 6.57895
491 2QZZ EMF 6.60377
492 2QZZ NAP 6.60377
493 6BII NAP 6.60661
494 2VDF OCT 6.71937
495 5A04 BGC 6.78466
496 5A04 NDP 6.78466
497 1MUU NAD 6.81818
498 1MV8 NAD 6.81818
499 6C4T NA7 6.81818
500 1H82 GZZ 6.81818
501 1H82 FAD 6.81818
502 2AG8 NAP 6.84411
503 4XB2 HSE 6.86567
504 4XB2 NDP 6.86567
505 1LTH NAD 6.89655
506 1HDG NAD 6.92771
507 1YJQ NAP 6.93069
508 3GGO NAI 7.00637
509 3GGO ENO 7.00637
510 2PV7 NAD 7.04698
511 5X20 NAD 7.05128
512 1L5Y BEF 7.09677
513 2F5Z FAD 7.10227
514 5J5Z FAD 7.10227
515 2NPX NAD 7.10227
516 6ER9 NAP 7.10227
517 6ER9 FAD 7.10227
518 5NII FAD 7.11974
519 3NJ4 AFX 7.12644
520 3NJ4 NAD 7.12644
521 1JNR FAD 7.33333
522 3CIF NAD 7.38636
523 2NVK FAD 7.38636
524 1TB4 PEJ 7.38636
525 3CIF G3H 7.38636
526 5XWC 8GL 7.38636
527 5XWC 2IT 7.38636
528 5XWC NAP 7.38636
529 2NVK NAP 7.38636
530 5AOV NAP 7.44048
531 6A0S HSE 7.53012
532 6A0S NDP 7.53012
533 4RJD TFP 7.57576
534 4RDH AMP 7.63889
535 4RDI ATP 7.63889
536 2ZB4 5OP 7.67045
537 2ZB4 NAP 7.67045
538 1QO8 FAD 7.67045
539 2FR1 NDP 7.67045
540 2C7G FAD 7.67045
541 2C7G ODP 7.67045
542 4TM3 FAD 7.67045
543 2IID PHE 7.67045
544 2IID FAD 7.67045
545 4J4H 1J1 7.72201
546 4J4H NAI 7.72201
547 1Z82 NDP 7.76119
548 2F1K NAP 7.8853
549 5W3K 9TY 7.94118
550 5W3K NDP 7.94118
551 2B4R NAD 7.95455
552 2B4R AES 7.95455
553 2Y6Q FAD 7.95455
554 2Y6Q I7T 7.95455
555 1Q1R FAD 7.95455
556 3G5S FAD 7.95455
557 4D79 ATP 7.97101
558 2DC1 NAD 8.05085
559 2A92 NAI 8.09969
560 3HAD NAD 8.11688
561 5Z2L NDP 8.16327
562 1LDN NAD 8.22785
563 5JWC FAD 8.23864
564 1KJ1 MAN 8.25688
565 5OJL TXP 8.38926
566 6GNC FAD 8.5034
567 3RNM FAD 8.62069
568 1ZEM NAD 8.77863
569 1C0I FAD 8.80682
570 1C0I BE2 8.80682
571 3CGD FAD 8.80682
572 3CGD NAD 8.80682
573 3CGD COA 8.80682
574 5I7A 68Q 8.89571
575 2NU5 NAG 9.01639
576 2GUD BMA 9.01639
577 2HYR BGC GLC 9.01639
578 2GUC MAN 9.01639
579 2GUD MAN 9.01639
580 2NUO BGC 9.01639
581 2HYQ MAN MAN 9.01639
582 4YKG NAD 9.09091
583 4YKG FAD 9.09091
584 3NKS FAD 9.09091
585 2V7Q ADP 9.09091
586 5EIN NAP 9.25926
587 5OCM NAP 9.27835
588 5CAE COA 9.375
589 1UXG NAD 9.38511
590 1UXG FUM 9.38511
591 2VYN NAD 9.58084
592 2ZB3 NDP 9.65909
593 4TVD BGC 9.65909
594 1F06 NDP 9.6875
595 1F06 2NP 9.6875
596 1J6W MET 9.71429
597 3P13 RIP 9.72222
598 5L95 AMP 10
599 1C3M MAN MAN 10.2041
600 5KMS NAD 10.2273
601 1J49 NAD 10.5105
602 1U8X NAD 10.5114
603 1KUJ MMA 10.5263
604 1JAC AMG 10.5263
605 1X7D ORN 10.5714
606 1X7D NAD 10.5714
607 4CJX NAP 10.6583
608 1ZK7 FAD 10.7066
609 5ODQ FAD 10.7143
610 5ODQ 9SB 10.7143
611 1N1G BCP 10.7955
612 6FP4 E1T 10.7955
613 6FP4 FAD 10.7955
614 5WGR FAD 10.7955
615 4A59 AMP 10.7955
616 4XZ3 COA 10.8696
617 4PLG NAI 11.0778
618 4PLG OXM 11.0778
619 5G3U FDA 11.0795
620 5G3U ITW 11.0795
621 1ZEI CRS 11.3208
622 5Z20 NAI 11.3636
623 1O0S NAI 11.3636
624 2ZJ1 ARJ 11.6477
625 2ZJ1 NAD 11.6477
626 1DLJ UGA 11.6477
627 1DLJ NAI 11.6477
628 4OOE NDP 11.6477
629 4OOE FOM 11.6477
630 1LSH PLD 11.6477
631 2YVJ NAI 11.9266
632 2YVJ FAD 11.9266
633 5TOW NAI 11.9318
634 5TOW ADN 11.9318
635 5DN9 NAD 11.9318
636 6DEN FAD 11.9318
637 6DEN TP9 11.9318
638 6DEN G8A 11.9318
639 4HSU FAD 12.0968
640 4GUS FAD 12.0968
641 4GUT FAD 12.0968
642 4UP3 FAD 12.1019
643 4UP3 NDP 12.1019
644 2B5W NAP 12.2159
645 2DBZ NAP 12.2754
646 3OND ADN 12.7841
647 3OND NAD 12.7841
648 4EMI NAD 12.7841
649 4EMI FAD 12.7841
650 4X9M FAD 13.0682
651 4EMJ FAD 13.0841
652 4B7X NAP 13.3929
653 6F3N ADN 13.6364
654 6F3N NAD 13.6364
655 6F3M NAD 13.6364
656 3ZIA ADP 14.2857
657 4EIP FAD 14.7727
658 4EIP K2C 14.7727
659 5M67 3D1 15.3409
660 5M67 NAD 15.3409
661 5M67 ADE 15.3409
662 4NAE 1GP 15.5556
663 1FL2 FAD 15.8065
664 2J5V PCA 15.9091
665 1RM0 D6P 16.1932
666 1RM0 NAI 16.1932
667 2GZ3 NAP 16.7614
668 4Y1B NAP 16.7614
669 3ULK NDP 16.7614
670 4RVU NDP 17.4699
671 5VKT NAP 22.0994
672 4W6Z 8ID 22.7666
673 3AD8 PYC 23.2323
674 3AD8 FAD 23.2323
675 3AD8 NAD 23.2323
676 3TWO NDP 23.2759
677 1LSS NAD 23.5714
678 4JBI NDP 23.5795
679 1YQD NAP 24.0437
680 5H81 NAP 24.4318
681 3QWB NDP 24.5509
682 5FI3 NAP 25.7703
683 4IDC NDP 25.9036
684 4IDC 1XX 25.9036
685 1YB5 NAP 26.2108
686 5DOZ NDP 26.9231
687 3WLE NAD 26.9795
688 2J8Z NAP 27.2727
689 2DM6 NAP 27.6276
690 2DM6 IMN 27.6276
691 2HMT NAI 28.4722
692 5O9F 9ON 30.1136
693 5O9F NAD 30.1136
694 1KOL NAD 30.6818
695 3B6Z CO7 30.9659
696 5DP2 NAP 31.2866
697 3JYN NDP 31.3846
698 4GKV NAD 31.5476
699 1PL6 572 32.9545
700 1PL6 NAD 32.9545
701 1R37 NAD 34.0058
702 1LOB MMA 34.6154
703 1LLU NAD 35.0877
704 1H2B NAJ 35.2273
705 1F8F NAD 38.6364
706 1D1T NAD 42.3295
707 2DFV NAD 42.3631
708 2FZW NAD 42.6136
709 2JHF NAD 42.6136
710 1U3U NAD 43.4659
711 1U3U BNF 43.4659
712 4RQU NAD 43.75
713 3GFB NAD 44.2857
714 1E3I CXF 44.6023
715 1CDO NAD 47.1591
Pocket No.: 2; Query (leader) PDB : 1YKF; Ligand: NAP; Similar sites found with APoc: 35
This union binding pocket(no: 2) in the query (biounit: 1ykf.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1VKO NAD 1.42045
2 4HXY NDP 1.70455
3 3K7M FAD 1.98864
4 2Q1S NAI 1.98864
5 2CDU FAD 1.98864
6 1E6E FAD 2.34375
7 4G5H UD7 2.55682
8 4G5H NAP 2.55682
9 4PTN GXV 2.62391
10 1UDB NAD 2.66272
11 1UDB UFG 2.66272
12 4ZCC NAI 2.67857
13 4ZCC FAD 2.67857
14 5L2R MLA 2.84091
15 4FWE FAD 3.125
16 5DF1 58X 3.40909
17 5DF1 NAP 3.40909
18 2VTD LKM 3.97727
19 3S5W FAD 4.26136
20 2RH4 EMO 4.69314
21 4MUS LY0 4.73934
22 5NMX FAD 4.82955
23 1YQZ FAD 4.82955
24 3WD6 GSH 5.07812
25 1KEW NAD 5.11364
26 2GNM MAN 5.55556
27 1VBO MAN MAN MAN 8.72483
28 5CAE SIN 9.375
29 1TOQ AMG 10.5263
30 1UGY GLA GLC 10.5263
31 4AKB GAL 10.5263
32 4U8P UDP 10.7955
33 4U8P FDA 10.7955
34 1XVB BHL 11.7647
35 5YRG BGC GLC 14.7887
Pocket No.: 3; Query (leader) PDB : 1YKF; Ligand: NAP; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 1ykf.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZPD CIT 3.125
2 4L8F MTX 6.41026
3 1WZ1 DNS 6.50407
4 1J78 OLA 7.67045
5 1Y8O ADP 10.9375
Pocket No.: 4; Query (leader) PDB : 1YKF; Ligand: NAP; Similar sites found with APoc: 62
This union binding pocket(no: 4) in the query (biounit: 1ykf.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4YNU FAD 1.70455
2 4YNU LGC 1.70455
3 1TZJ A3B 1.77515
4 1YY5 FAD 1.98864
5 1RSG FAD 1.98864
6 6F5W KG1 1.98864
7 4REP FAD 2.0202
8 6FU4 HSM 2.02899
9 5MBX SP5 2.27273
10 5MBX FAD 2.27273
11 1NAA ABL 2.27273
12 1NAA 6FA 2.27273
13 3OID NDP 2.32558
14 2DKH 3HB 2.55682
15 2AE2 PTO 2.69231
16 2AE2 NAP 2.69231
17 1SB8 UD2 2.84091
18 5NC1 NAG 2.95359
19 1KNR FAD 3.125
20 4RSL FAD 3.69318
21 4RPL 3UC 3.69318
22 4RPL FAD 3.69318
23 5UXF 2BA 3.69318
24 6A3J SOE 3.69318
25 5YSS NAD 3.90625
26 4WBD CIT 3.97727
27 1VL8 NAP 4.11985
28 2Z3Y F2N 4.26136
29 3IHG FAD 4.26136
30 5J7X FAD 4.26136
31 4IV9 FAD 4.26136
32 2ZXI FAD 4.26136
33 3VZ3 NAP 4.26136
34 2VZ0 NAP 4.47761
35 2VZ0 D64 4.47761
36 1G51 AMP 4.48276
37 4KWI 1TJ 4.56274
38 4KWI NAP 4.56274
39 1WMA AB3 4.71014
40 1WMA NDP 4.71014
41 2JB2 PHE 4.82955
42 2JB2 FAD 4.82955
43 2Q1W NAD 5.1051
44 1RYD NDP 5.96591
45 1XCL SAH 6.38298
46 2RGO FAD 6.53409
47 3ICS FAD 6.53409
48 3ICR FAD 6.53409
49 5XHA FRU 6.81818
50 1X1T NAD 7.30769
51 2O66 FLC 7.40741
52 2Q2V NAD 7.84314
53 3CGB FAD 8.23864
54 5B4T 3HR 8.46154
55 5B4T NAD 8.46154
56 5YB7 FAD 8.80682
57 5YB7 ORN 8.80682
58 1DTD GLU 9.83607
59 1M26 GAL A2G 10.5263
60 1N5D NDP 10.7639
61 1E7S NAP 10.9034
62 3ICC NAP 19.2157
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