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Receptor
PDB id Resolution Class Description Source Keywords
1KEV 2.05 Å EC: 1.1.1.2 STRUCTURE OF NADP-DEPENDENT ALCOHOL DEHYDROGENASE CLOSTRIDIUM BEIJERINCKII OXIDOREDUCTASE ZINC NADP
Ref.: CRYSTALLINE ALCOHOL DEHYDROGENASES FROM THE MESOPHILIC BACTERIUM CLOSTRIDIUM BEIJERINCKII AND THE THERMOPHILIC BACTERIUM THERMOANAEROBIUM BROCKII: PREPARATION, CHARACTERIZATION AND MOLECULAR SYMMETRY. ACTA CRYSTALLOGR.,SECT.D V. 52 882 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:352;
B:352;
C:352;
D:352;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
ZN A:353;
B:353;
C:353;
D:353;
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
1KEV 2.05 Å EC: 1.1.1.2 STRUCTURE OF NADP-DEPENDENT ALCOHOL DEHYDROGENASE CLOSTRIDIUM BEIJERINCKII OXIDOREDUCTASE ZINC NADP
Ref.: CRYSTALLINE ALCOHOL DEHYDROGENASES FROM THE MESOPHILIC BACTERIUM CLOSTRIDIUM BEIJERINCKII AND THE THERMOPHILIC BACTERIUM THERMOANAEROBIUM BROCKII: PREPARATION, CHARACTERIZATION AND MOLECULAR SYMMETRY. ACTA CRYSTALLOGR.,SECT.D V. 52 882 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1KEV - NDP C21 H30 N7 O17 P3 c1nc(c2c(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: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KEV; Ligand: NDP; Similar sites found with APoc: 760
This union binding pocket(no: 1) in the query (biounit: 1kev.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2GSD NAD 1.1396
2 3CMC NAD 1.1976
3 1SC6 NAD 1.4245
4 3T31 FAD 1.4245
5 3T31 DCQ 1.4245
6 3E1T FAD 1.4245
7 5TUK FAD 1.4245
8 2HGS GSH 1.4245
9 2J4D MHF 1.4245
10 5UR0 NAD 1.43266
11 1R6D DAU 1.48368
12 1R6D NAD 1.48368
13 5D4V SAH 1.49254
14 5GZ6 7C3 1.53374
15 5GZ6 NDP 1.53374
16 2AHR NAP 1.5444
17 4MUQ LY0 1.56863
18 4MUQ 2D8 1.56863
19 5O98 NAP 1.57729
20 5X9D 80F 1.64474
21 5Y8L NAD 1.69492
22 5Y8L HUI 1.69492
23 6GNC FAD 1.70068
24 3NJ4 NAD 1.7094
25 3NJ4 AFX 1.7094
26 1DLJ UGA 1.7094
27 4R5M NAP 1.7094
28 4Y2B EPK 1.7094
29 1RYI GOA 1.7094
30 5BUK FAD 1.7094
31 4R5M 4NO 1.7094
32 4OPC PGT 1.7094
33 5TUF TDC 1.7094
34 4HXY NDP 1.7094
35 1RYI FAD 1.7094
36 4OPC FDA 1.7094
37 2RGH FAD 1.7094
38 2IYA UDP 1.7094
39 2FR1 NDP 1.7094
40 1DLJ NAI 1.7094
41 5TUF FAD 1.7094
42 6GAR FAD 1.7192
43 5A04 BGC 1.76991
44 5A04 NDP 1.76991
45 3V1Y NAD 1.78042
46 4Z0H NAD 1.79641
47 3BAZ NAP 1.8018
48 1P77 ATR 1.83824
49 2Q7V FAD 1.84615
50 3G3N TC8 1.88679
51 5EDE 5M6 1.90476
52 1YJQ NAP 1.9802
53 5M67 ADE 1.9943
54 5M67 NAD 1.9943
55 5M67 3D1 1.9943
56 5Z20 NAI 1.9943
57 1X87 NAD 1.9943
58 4J36 1HR 1.9943
59 4J36 FAD 1.9943
60 1OBB NAD 1.9943
61 1VKO NAD 1.9943
62 3KLJ FAD 1.9943
63 1J78 OLA 1.9943
64 2Q1S NAI 1.9943
65 5NMX NAP 1.9943
66 6A3J SOE 1.9943
67 6A3J NAI 1.9943
68 3Q3C NAD 2.00669
69 3H9E NAD 2.02312
70 1ZH8 NAP 2.05882
71 4XB2 NDP 2.08955
72 4XB2 HSE 2.08955
73 6A0S NDP 2.10843
74 6A0S HSE 2.10843
75 4E13 NAD 2.12014
76 1GAD NAD 2.12121
77 1T26 NAI 2.17391
78 1T26 GBD 2.17391
79 1F06 2NP 2.1875
80 1F06 NDP 2.1875
81 5T9E NAP 2.21402
82 5EOW FAD 2.22222
83 1EBF NAD 2.2792
84 2CDU ADP 2.2792
85 1KJ8 GAR 2.2792
86 1TB4 PEJ 2.2792
87 3GD4 FAD 2.2792
88 2R4J 13P 2.2792
89 2R4J FAD 2.2792
90 2AWN ADP 2.2792
91 3GD4 NAD 2.2792
92 6F7L FAD 2.2792
93 3G5N PB2 2.2792
94 4USQ FAD 2.2792
95 2CDU FAD 2.2792
96 4BV6 FAD 2.2792
97 4JNA FAD 2.35294
98 3ITJ FAD 2.36686
99 2OI2 DP6 2.39726
100 5JCJ NAP 2.43056
101 5JDI NAP 2.43056
102 5JDC NAP 2.43056
103 5K6A NAP 2.43056
104 1B8U NAD 2.43161
105 1B8U OAA 2.43161
106 3OA2 NAD 2.51572
107 1G5N UAP SGN IDS SGN 2.51572
108 5L4S NAP 2.51572
109 5L4S 6KX 2.51572
110 1GZ4 ATP 2.5641
111 1FEC FAD 2.5641
112 3A06 NDP 2.5641
113 1C0I FAD 2.5641
114 1C0I BE2 2.5641
115 2RAB NAD 2.5641
116 3CGD FAD 2.5641
117 3CGD COA 2.5641
118 5KVS NAP 2.5641
119 4B63 FAD 2.5641
120 4B63 NAP 2.5641
121 4B63 ORN 2.5641
122 2RAB FAD 2.5641
123 4EIP FAD 2.5641
124 3DAG FEG 2.5641
125 3AYI HCI 2.5641
126 3AYI FAD 2.5641
127 3CGD NAD 2.5641
128 1PN0 FAD 2.5641
129 4XFR CIT 2.5641
130 1PN0 IPH 2.5641
131 3G5S FAD 2.5641
132 4EIP K2C 2.5641
133 1PCA VAL 2.5641
134 2DKH FAD 2.5641
135 3CGB FAD 2.5641
136 6F97 FAD 2.5641
137 5KVS 6XR 2.5641
138 4B4U NAP 2.5641
139 5G3U FDA 2.5641
140 5G3U ITW 2.5641
141 5TS5 FAD 2.5641
142 3A06 FOM 2.5641
143 2Q0L NAP 2.57235
144 2Q0L FAD 2.57235
145 1HYH NAD 2.589
146 3ZNN 4WL 2.59366
147 3ZNN FAD 2.59366
148 3WGT FAD 2.59366
149 3WGT QSC 2.59366
150 5YU3 NAD 2.61628
151 5YU3 PRO 2.61628
152 2X00 GYN 2.64317
153 3B20 NAD 2.65487
154 3B1J NAD 2.65487
155 4L8V NAP 2.67062
156 1Z82 NDP 2.68657
157 1WP4 NDP 2.76817
158 3F8D FAD 2.78638
159 2VT3 ATP 2.7907
160 3K5I AIR 2.849
161 3SQP FAD 2.849
162 2NAD NAD 2.849
163 1UP7 NAD 2.849
164 1YKJ FAD 2.849
165 1YKJ PHB 2.849
166 1UWK NAD 2.849
167 1UWK URO 2.849
168 5XHA FRU 2.849
169 3SSO SAH 2.849
170 5GUD 2IT 2.849
171 5GUD NDP 2.849
172 3QVP FAD 2.849
173 4MOP 2H5 2.849
174 2IZ1 ATR 2.849
175 4PIV NDP 2.849
176 5GUD CIT 2.849
177 2B9W FAD 2.849
178 5MBX SP5 2.849
179 5MBX FAD 2.849
180 4CNK FAD 2.849
181 4X9M FAD 2.87081
182 2RH4 EMO 2.88809
183 2DC1 NAD 2.9661
184 6CEP NAD 2.99401
185 6CEP OXM 2.99401
186 1V6A TRE 3.01205
187 1QH9 LAC 3.01724
188 2EV9 NAP 3.04183
189 2EV9 SKM 3.04183
190 2CVQ NDP 3.0581
191 3HB5 NAP 3.0581
192 3B1F NAD 3.10345
193 5UAV NDP 3.10559
194 5UAV TFB 3.10559
195 2CDC XYP 3.1339
196 2CDC XYS 3.1339
197 2CDC NAP 3.1339
198 1BZL GCG 3.1339
199 3OJO NAD 3.1339
200 1BZL FAD 3.1339
201 4PQG NAG 3.1339
202 3NYC FAD 3.1339
203 3NYC IAR 3.1339
204 1U8X NAD 3.1339
205 1KNR FAD 3.1339
206 1LUA NAP 3.13589
207 1LDN NAD 3.16456
208 3O9Z NAD 3.20513
209 3O9Z AKG 3.20513
210 5EES NAP 3.23887
211 1VDC FAD 3.3033
212 4ZVV GN0 3.31325
213 4ZVV NAD 3.31325
214 9LDT NAD 3.31325
215 9LDB NAD 3.31325
216 4E5N NAD 3.33333
217 2HJR APR 3.35366
218 1SOW NAD 3.35366
219 5MIT NAP 3.36391
220 5MIT FAD 3.36391
221 5ZZ6 NAD 3.36538
222 5ZZ6 ADP 3.36538
223 4YCA NDP 3.40136
224 2VHW NAI 3.4188
225 1HKU NAD 3.4188
226 2IXB NAD 3.4188
227 1GR0 NAD 3.4188
228 1U1I NAD 3.4188
229 5FJN FAD 3.4188
230 5FJN BE2 3.4188
231 2IXB A2G 3.4188
232 4AP3 NAP 3.4188
233 4AP3 FAD 3.4188
234 5BRT CH9 3.4188
235 1H82 GZZ 3.4188
236 1H82 FAD 3.4188
237 5BU2 AMP 3.4188
238 5HXI FAD 3.4188
239 3GMB FAD 3.4188
240 5BRT FAD 3.4188
241 2IID PHE 3.4188
242 2IID FAD 3.4188
243 3IHG FAD 3.4188
244 5N2I NAP 3.44828
245 3CTY FAD 3.44828
246 2HMT NAI 3.47222
247 5CAE COA 3.51438
248 5CAE SIN 3.51438
249 1RP0 AHZ 3.52113
250 1R18 SAH 3.52423
251 3L6C MLI 3.53982
252 1TZJ A3B 3.5503
253 3L4S NAD 3.57143
254 3L4S 3PG 3.57143
255 4BVA NDP 3.58209
256 4BVA T3 3.58209
257 3ORF NAD 3.58566
258 1DSS NAD 3.6036
259 4H69 10Y 3.60825
260 2O07 MTA 3.61842
261 4DPL NAP 3.62117
262 4PLT NAI 3.62538
263 4PLT OXM 3.62538
264 5T9F NAP 3.69004
265 5T9F TYR 3.69004
266 5OJL TXP 3.69128
267 2D2I NAP 3.7037
268 1PJS NAD 3.7037
269 1VCO GLN 3.7037
270 2QRK AMP 3.7037
271 3OZ2 FAD 3.7037
272 1D4D FAD 3.7037
273 1QO8 FAD 3.7037
274 1DJN ADP 3.7037
275 4YJI TYL 3.7037
276 4ARE FLC 3.7037
277 4IF4 BEF 3.84615
278 6BII NAP 3.9039
279 1O6Z NAD 3.9604
280 3SJ7 NDP 3.96825
281 6H5E ANP 3.98406
282 1MUU NAD 3.9886
283 1YS4 NAP 3.9886
284 2WET FAD 3.9886
285 3FG2 FAD 3.9886
286 5JWC FAD 3.9886
287 4RPL 3UC 3.9886
288 5WGR FAD 3.9886
289 2ZXI FAD 3.9886
290 4RPL FAD 3.9886
291 4KQW NAP 4
292 3C1O NAP 4.04984
293 5ZI2 NAD 4.05797
294 5ZI2 ADP 4.05797
295 5TWB FAD 4.06977
296 3WV8 ATP 4.12844
297 4MP8 MLI 4.12979
298 4MP8 NAD 4.12979
299 1I36 NAP 4.16667
300 4D3F NAP 4.19355
301 1DIG NAP 4.24837
302 1DIG L37 4.24837
303 5LD5 NAD 4.2735
304 5Z21 NAI 4.2735
305 5MQ6 NDP 4.2735
306 1PS9 NAP 4.2735
307 4OOE FOM 4.2735
308 4OOE NDP 4.2735
309 6FP4 E1T 4.2735
310 6FP4 FAD 4.2735
311 1PS9 FAD 4.2735
312 5N0J FAD 4.2735
313 6C4M NAP 4.2735
314 1QMG APX 4.2735
315 1REO FAD 4.2735
316 4IV9 FAD 4.2735
317 4TSK NDP 4.28571
318 3ICC NAP 4.31373
319 2B4R NAD 4.34783
320 2B4R AES 4.34783
321 4JJF FE9 4.36047
322 2A92 NAI 4.36137
323 1LTH NAD 4.38871
324 5U5G NAP 4.40678
325 5YEC ATP 4.41176
326 1P31 EPU 4.42105
327 6A6A DAL 4.44444
328 1FWV SGA MAG FUC 4.47761
329 4NTC FAD 4.47761
330 2CVZ NDP 4.49827
331 5AYV KPL 4.53074
332 5AYV NAP 4.53074
333 1X14 NAD 4.5584
334 2WPF FAD 4.5584
335 2WPF WPF 4.5584
336 6CFC BLG 4.5584
337 1N1G BCP 4.5584
338 5KMS NAD 4.5584
339 1GET FAD 4.5584
340 1GET NAP 4.5584
341 4D04 NAP 4.5584
342 4D04 FAD 4.5584
343 6AIN FAD 4.5584
344 2IYF UDP 4.5584
345 6FHO FAD 4.5584
346 2JHP SAH 4.5584
347 1LDM NAD 4.55927
348 2AG8 NAP 4.56274
349 5XVH NAP 4.57516
350 1OC2 NAD 4.5977
351 1OC2 TDX 4.5977
352 4YSX FAD 4.60993
353 2YYY NAP 4.66472
354 5BSH PRO 4.69314
355 1A5Z NAD 4.70219
356 2R00 OEG 4.7619
357 1C3M MAN MAN 4.7619
358 4UP3 NDP 4.77707
359 4UP3 FAD 4.77707
360 2VYN NAD 4.79042
361 4YT4 FE9 4.8
362 3VPH NAD 4.83871
363 3VPH OXM 4.83871
364 1C1X NAD 4.8433
365 1BXG NAD 4.8433
366 2ZJ1 ARJ 4.8433
367 2ZJ1 NAD 4.8433
368 1N9G NAP 4.8433
369 4XYB NDP 4.8433
370 3ETG GLU 4.8433
371 1BW9 NAD 4.8433
372 1E5Q NDP 4.8433
373 5JCM FAD 4.8433
374 3UOY NAP 4.8433
375 3UOY FAD 4.8433
376 5JCM NAD 4.8433
377 5JCM ISD 4.8433
378 4WAS NAP 4.8433
379 3ETG GTP 4.8433
380 3ETG NDP 4.8433
381 4WAS COO 4.8433
382 3LXI CAM 4.8433
383 3M89 GSP 4.8433
384 5ZYN FAD 4.8433
385 1WPQ NAD 4.87106
386 3WBF NAP 4.91803
387 3WBF API 4.91803
388 1SQS TLA 4.95868
389 1W73 NAP 4.96689
390 1W8D NAP 4.96689
391 4NTD FAD 5
392 4JZ8 CIT 5.04732
393 3NGL NAP 5.07246
394 3LZW NAP 5.12048
395 3LZW FAD 5.12048
396 4ZGS NAD 5.12821
397 5DN9 NAD 5.12821
398 6C4T NA7 5.12821
399 4K5S PM0 5.12821
400 4K5S FAD 5.12821
401 2GAG FAD 5.12821
402 2GAG FOA 5.12821
403 4XDY NAI 5.12821
404 5VN0 NAI 5.12821
405 2GAG NAD 5.12821
406 1Q9I FAD 5.12821
407 1Q9I TEO 5.12821
408 1YQZ FAD 5.12821
409 5OC1 FAD 5.12821
410 4MIG G3F 5.12821
411 5VN0 FAD 5.12821
412 1Q1R FAD 5.12821
413 1GTE FAD 5.12821
414 2X6T NAP 5.12821
415 3H8V ATP 5.13699
416 2Q46 NAP 5.13834
417 3QFA FAD 5.17241
418 3HAD NAD 5.19481
419 2DT5 NAD 5.21327
420 4J56 FAD 5.26316
421 4ZXA H8N 5.30973
422 1EZ4 NAD 5.34591
423 5U5N NAD 5.37634
424 4KOA NDP 5.40541
425 3ICS ADP 5.41311
426 3ICT ADP 5.41311
427 1WDK NAD 5.41311
428 1K3T BRZ 5.41311
429 3OND ADN 5.41311
430 3OND NAD 5.41311
431 3UCL NAP 5.41311
432 3UCL FAD 5.41311
433 3UCL CYH 5.41311
434 2E5V FAD 5.41311
435 2QA1 FAD 5.41311
436 3ICS FAD 5.41311
437 2XVE FAD 5.41311
438 3ICR FAD 5.41311
439 2IVD FAD 5.41311
440 1E6E FAD 5.43478
441 1E1M NAP 5.43478
442 1E1M FAD 5.43478
443 3HGM ATP 5.44218
444 2O4C NAD 5.52632
445 1VHW ADN 5.5336
446 5YRJ BGC GLC 5.6338
447 5NM7 GLY 5.6391
448 1V8B NAD 5.69801
449 2NU8 COA 5.69801
450 4XQC NAD 5.69801
451 2RGJ FAD 5.69801
452 4XQC 13D 5.69801
453 1I2B NAD 5.69801
454 1I2B USQ 5.69801
455 1I2B UPG 5.69801
456 5VZ0 ADP 5.69801
457 1HDR NAD 5.7377
458 6GAS FAD 5.74018
459 2OOR NAD 5.74713
460 1FL2 FAD 5.80645
461 1EQ2 NAP 5.80645
462 1UXG NAD 5.82524
463 1UXG FUM 5.82524
464 1O0S NAI 5.98291
465 4YKG NAD 5.98291
466 4YKG FAD 5.98291
467 2AQJ FAD 5.98291
468 2AQJ TRP 5.98291
469 6C4N NAP 5.98291
470 3AXB PRO 5.98291
471 3AXB FAD 5.98291
472 1GPE FAD 5.98291
473 4U8P FDA 5.98291
474 4U8P UDP 5.98291
475 1NVM NAD 6.08696
476 5KKA 6V0 6.08974
477 1JAY NAP 6.13208
478 1O5Q PYR 6.22951
479 3ABI NAD 6.26781
480 2NVK NAP 6.26781
481 4EDF UPG 6.26781
482 5U8U FAD 6.26781
483 3LAD FAD 6.26781
484 2NVK FAD 6.26781
485 5BJX NAD 6.26781
486 5BJX UDP 6.26781
487 2GMH FAD 6.26781
488 2YG3 FAD 6.26781
489 1NVT NAP 6.27178
490 3KB6 NAD 6.28743
491 5K0A FAD 6.36364
492 3FPZ AHZ 6.44172
493 1LJ8 NAD 6.49087
494 1M2W NAD 6.49087
495 1RM4 NDP 6.52819
496 1RM0 D6P 6.55271
497 1RM0 NAI 6.55271
498 5Y77 FAD 6.55271
499 3LXD FAD 6.55271
500 3L9W AMP 6.55271
501 1VM6 NAD 6.57895
502 2GCG NDP 6.66667
503 5N6C NAD 6.66667
504 2PV7 NAD 6.71141
505 5Z2F NAP 6.79245
506 2F1K NAP 6.81004
507 3ULK NDP 6.83761
508 2I3G NAP 6.83761
509 5J5Z FAD 6.83761
510 2F5Z FAD 6.83761
511 5MZI FYK 6.83761
512 5MZI FAD 6.83761
513 5BVA FAD 6.83761
514 2HQM FAD 6.83761
515 2P3V SRT 6.83761
516 2GV8 FAD 6.83761
517 1VQW FAD 6.83761
518 2GVC FAD 6.83761
519 5J60 FAD 6.875
520 1O94 ADP 6.875
521 2DBZ NAP 6.88623
522 5G6U TRP 6.89655
523 1CER NAD 6.94864
524 1TDF FAD 6.96203
525 1TDF NAP 6.96203
526 5JY6 NAD 7.02247
527 5W3K NDP 7.05882
528 5W3K 9TY 7.05882
529 6F3N ADN 7.12251
530 6F3N NAD 7.12251
531 6F3M NAD 7.12251
532 1F8G NAD 7.12251
533 1U1J MET 7.12251
534 5I39 FAD 7.12251
535 5OCM NAP 7.2165
536 5HCN GCP 7.27969
537 4RDH AMP 7.29167
538 4RDI ATP 7.29167
539 1DRV A3D 7.32601
540 5A1T NAI 7.33138
541 5A1T OXM 7.33138
542 1EDO NAP 7.37705
543 2RHO GDP 7.38462
544 2A8X FAD 7.40741
545 4A59 AMP 7.40741
546 5UAO FAD 7.40741
547 4OM8 NAD 7.44337
548 1OMO NAD 7.45342
549 1XXR MAN 7.45342
550 1J5P NAD 7.50988
551 1HDG NAD 7.53012
552 1P1C SAH 7.53769
553 2DTX BMA 7.57576
554 4D79 ATP 7.6087
555 6GNA FAD 7.63889
556 2NPX NAD 7.69231
557 1XVB BBU 7.69231
558 5JCA NDP 7.69231
559 5XWC NAP 7.69231
560 5XWC 2IT 7.69231
561 5XWC 8GL 7.69231
562 5JCA FAD 7.69231
563 1XVB BHL 7.69231
564 1J0X NAD 7.83133
565 2GN4 UD1 7.84884
566 2GN4 NDP 7.84884
567 1MV8 NAD 7.97721
568 1GQ2 NAP 7.97721
569 2Y6Q FAD 7.97721
570 2Y6Q I7T 7.97721
571 4TM3 FAD 7.97721
572 1UDB UFG 7.98817
573 1UDB NAD 7.98817
574 5X20 NAD 8.01282
575 1ZK7 FAD 8.13704
576 5Z2L NDP 8.16327
577 1LVL NAD 8.26211
578 3AB1 FAD 8.26211
579 1LVL FAD 8.26211
580 3GGO ENO 8.28025
581 3GGO NAI 8.28025
582 1X7D ORN 8.28571
583 1X7D NAD 8.28571
584 4YRY FAD 8.33333
585 4YRY NAD 8.33333
586 1ZEM NAD 8.39695
587 5A96 GTP 8.43373
588 5B4T NAD 8.46154
589 5B4T 3HR 8.46154
590 5KOX RFP 8.54701
591 5KOX FAD 8.54701
592 3H5N ATP 8.54701
593 1XHC FAD 8.54701
594 1SAY PYR 8.58726
595 4II2 ATP 8.58896
596 3RNM FAD 8.62069
597 4ZCC FAD 8.63095
598 4ZCC NAI 8.63095
599 3CIF NAD 8.6351
600 3CIF G3H 8.6351
601 4MDH NAD 8.68263
602 5MDH NAD 8.70871
603 1GUZ NAD 8.70968
604 1ZQ9 SAM 8.77193
605 3S5W NAP 8.83191
606 1VJT NAD 8.83191
607 3S5W FAD 8.83191
608 4JK3 NAD 8.88031
609 2G5C NAD 8.8968
610 1V59 FAD 8.99582
611 1V59 NAD 8.99582
612 4JDR FAD 9.11681
613 1Q8O MAN MMA 9.12698
614 5TC4 NAD 9.17722
615 1OCU PIB 9.25926
616 1HYE NAP 9.26518
617 4J4H 1J1 9.26641
618 4J4H NAI 9.26641
619 1JNR FAD 9.33333
620 1PZG A3D 9.36556
621 4KP7 NAP 9.40171
622 4KP7 1UQ 9.40171
623 3WQQ IB3 9.40171
624 3WQQ NDP 9.40171
625 1CF2 NAP 9.49555
626 4XDZ NDP 9.68661
627 5E4R NAP 9.68661
628 4CJX NAP 9.71787
629 4M52 FAD 9.97151
630 4M52 M52 9.97151
631 5GSN NAP 9.97151
632 5GSN FAD 9.97151
633 5GSN MMZ 9.97151
634 5YB7 FAD 9.97151
635 4O0L NDP 9.97151
636 5YB7 ORN 9.97151
637 5X68 FAD 9.97442
638 1VI2 NAD 10
639 4XZ3 COA 10
640 5YAP 8S0 10
641 5YAP NAI 10
642 1VAY AZA 10.1045
643 1J49 NAD 10.2102
644 5NUF NAD 10.241
645 5NUE NAD 10.241
646 4CQM NAP 10.2459
647 4TXI FAD 10.2564
648 2BRY FAD 10.2564
649 1J6W MET 10.2857
650 1NPD NAD 10.4167
651 5I7A 68Q 10.4294
652 5ODQ FAD 10.7143
653 5ODQ 9SB 10.7143
654 2HK9 ATR 10.9091
655 2HK9 NAP 10.9091
656 1Q0H NDP 11.1111
657 1Q0H FOM 11.1111
658 4PLG NAI 11.3772
659 4PLG OXM 11.3772
660 1LOB MMA 11.5385
661 6AA8 NAD 11.5894
662 1W6U NAP 11.5894
663 4A0S NAP 11.6809
664 3AD8 FAD 11.6809
665 3AD8 PYC 11.6809
666 6ER9 NAP 11.6809
667 6ER9 FAD 11.6809
668 3AD8 NAD 11.6809
669 1NYT NAP 11.8081
670 2ZB3 NDP 11.9658
671 1KYQ NAD 12.0438
672 2NU5 NAG 12.2951
673 2GUC MAN 12.2951
674 2GUD MAN 12.2951
675 2NUO BGC 12.2951
676 2GUD BMA 12.2951
677 2HYR BGC GLC 12.2951
678 2HYQ MAN MAN 12.2951
679 2CUL FAD 12.5
680 2C7G FAD 12.5356
681 2C7G ODP 12.5356
682 1C3V NDP 12.6531
683 4EMI NAD 12.8205
684 4EMI FAD 12.8205
685 4EMJ FAD 12.8205
686 4KWI 1TJ 12.9278
687 4KWI NAP 12.9278
688 5EZ7 FAD 13.1054
689 5GT9 NAP 13.308
690 5TOW ADN 13.3903
691 5TOW NAI 13.3903
692 1LSS NAD 13.5714
693 5JE8 NAD 13.5762
694 1MO9 KPC 14.245
695 1MO9 FAD 14.245
696 3QV1 NAD 14.6341
697 4BJZ FAD 15.3846
698 4BJZ P3A 15.3846
699 5AOV NAP 15.7738
700 4Y1B NAP 16.2393
701 2J8Z NAP 16.5242
702 2YVJ NAI 16.8091
703 2YVF NAD 16.8091
704 2YVF FAD 16.8091
705 2YVJ FAD 16.8091
706 5NII FAD 16.8285
707 2V7Q ADP 17.1233
708 2ZB4 NAP 17.3789
709 2ZB4 5OP 17.3789
710 2GZ3 NAP 17.6638
711 2F2U M77 18.5185
712 5L95 AMP 18.75
713 2BQP GLC 18.8034
714 1GV0 NAD 19.0323
715 4RVU NDP 19.8795
716 5VKT NAP 20.442
717 4B7X NAP 21.4286
718 5EIN NAP 22.2222
719 4JBI NDP 22.792
720 3TWO NDP 23.2759
721 1KOL NAD 23.6467
722 6FTB M0E 23.8095
723 1YQD NAP 24.3169
724 3WLE NAD 24.6334
725 5H81 NAP 25.0712
726 4W6Z 8ID 25.6484
727 4W6Z ETF 25.6484
728 1YB5 NAP 25.9259
729 3JYN NDP 26.1538
730 5DOZ NDP 26.9231
731 2VOH CIT 26.9231
732 3QWB NDP 28.1437
733 5FI3 NAP 29.4118
734 2DM6 NAP 29.4294
735 2DM6 IMN 29.4294
736 1F8F NAD 29.6296
737 1H2B NAJ 29.6296
738 1U3U NAD 29.6296
739 1U3U BNF 29.6296
740 4IDC NDP 29.8193
741 4IDC 1XX 29.8193
742 1PL6 NAD 29.9145
743 1PL6 572 29.9145
744 1R37 NAD 29.9712
745 1R37 ETX 29.9712
746 5O9F NAD 30.1994
747 5O9F 9ON 30.1994
748 5DP2 NAP 30.7018
749 4GKV NAD 31.8452
750 3B6Z CO7 31.9088
751 1LLU NAD 32.1637
752 2FZW NAD 39.6783
753 3GFB NAD 41.4286
754 2DFV NAD 41.4986
755 1D1T NAD 41.8803
756 4RQU NAD 42.1652
757 2B5W NAP 42.1652
758 1E3I CXF 43.3048
759 2JHF NAD 44.1595
760 1CDO NAD 46.7236
Pocket No.: 2; Query (leader) PDB : 1KEV; Ligand: NDP; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 1kev.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4G86 BNT 1.76056
2 4AGS GSH 1.9943
3 1YY5 FAD 1.9943
4 3JQA NAP 2.43056
5 3BMQ NAP 2.43056
6 3BMO NAP 2.43056
7 3ZOA ACR 2.849
8 3FPF MTA 3.02013
9 3FPF TNA 3.02013
10 4K30 NLG 3.125
11 5WAN URA 3.1339
12 2BO4 FLC 3.1339
13 3O7U O7U 3.7037
14 4OKD GLC GLC GLC 3.7037
15 4PTN PYR 3.79009
16 4RSL FAD 3.9886
17 3QWI NAP 4.07407
18 3QWI CUE 4.07407
19 1OLT SAM 4.5584
20 5ERM 210 4.8433
21 1KEW NAD 4.8433
22 4KVL PLM 5.41311
23 3E3U NVC 5.58376
24 5YRG BGC GLC 5.6338
25 5YRM BGC GLC 5.6338
26 5YRF GLC GLC 5.6338
27 1G0N PHH 6.00707
28 1G0N NDP 6.00707
29 5EXA 5SO 6.08696
30 5DBX ANP 6.09756
31 1KJ1 MAN 6.42202
32 3L9W GSH 6.55271
33 4Z28 BTN 6.71642
34 3GD8 GOL 7.17489
35 3ENV ABF 8.51064
36 4YNU FAD 9.40171
37 4YNU LGC 9.40171
38 5HGZ MLA 9.46502
39 3EW2 BTN 9.62963
40 1KUJ MMA 10.5263
41 1JAC AMG 10.5263
42 1TOQ AMG 10.5263
43 1M26 GAL A2G 10.5263
44 5TQZ GLC 10.6667
45 1LES GLC FRU 11.5385
46 2PZE ATP 11.7904
47 4M69 ANP 12.5356
48 4D52 GXL 12.6984
49 5ZI9 FLC 14.6154
Pocket No.: 3; Query (leader) PDB : 1KEV; Ligand: NDP; Similar sites found with APoc: 44
This union binding pocket(no: 3) in the query (biounit: 1kev.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKU AP2 1.57729
2 4X1B MLI 1.9943
3 4MUS 2D8 2.36967
4 2J5V PCA 2.5641
5 1ZGS XMM 2.5641
6 5OPJ AHR 2.5641
7 1VL8 NAP 2.62172
8 5KUT GDP 2.6455
9 3GJ5 GDP 2.71493
10 3GJ4 GDP 2.71493
11 4TR9 ASP TRP ASN 2.849
12 1QX4 FAD 2.91971
13 1DQN IMU 3.04348
14 3WKX FUB 3.1339
15 5FPN KYD 3.1339
16 1L7E NAI 3.4188
17 4KIB 56D 3.4188
18 3O03 NAP 3.43643
19 2GLX NDP 3.61446
20 3O26 NDP 3.85852
21 5JIL 6KL 4.5584
22 1K1Y MAL 4.5584
23 3NB0 G6P 4.5584
24 6H1U ASP 4.87805
25 1QFT HSM 5.14286
26 2J5S KTA 5.32319
27 6BQ6 TER 5.43807
28 3GJ7 GDP 6.12245
29 1E3W NAD 7.27969
30 5A7Y SAH 7.37179
31 1H5Q NAP 7.54717
32 5UXF 2BA 7.89474
33 1TUU AMP 8.83191
34 3ZIA ADP 9.42029
35 3VY6 BGC BGC 9.92908
36 1N5D NDP 10.0694
37 1SLT NDG GAL 10.4478
38 2BOY BHO 11.0236
39 2Q2V NAD 11.3725
40 2QS8 MET 11.396
41 1XXA ARG 11.5385
42 3AB4 LYS 11.639
43 1EJ0 SAM 12.2222
44 3GJ3 GDP 18.1818
Pocket No.: 4; Query (leader) PDB : 1KEV; Ligand: NDP; Similar sites found with APoc: 131
This union binding pocket(no: 4) in the query (biounit: 1kev.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5TTJ FAD 1.4245
2 6EL3 NAP 1.4245
3 2V6G NAP 1.7094
4 1H0A I3P 1.89873
5 1U7T TDT 1.91571
6 3VZS NAP 1.94553
7 3VZS CAA 1.94553
8 2VVL FAD 1.9943
9 1RSG FAD 1.9943
10 2VVM FAD 1.9943
11 5NMX FAD 1.9943
12 3HDY FAD 1.9943
13 3HDY FDA 1.9943
14 3HDY GDU 1.9943
15 1NAA 6FA 1.9943
16 1NAA ABL 1.9943
17 1T36 ORN 1.9943
18 5O42 BGC 2.18978
19 5O42 9JW 2.18978
20 5O42 NAD 2.18978
21 4HA6 FAD 2.2792
22 5XWV NDP 2.2792
23 5XWV 8H6 2.2792
24 4D7E FAD 2.2792
25 4DE3 DN8 2.28137
26 3QJ4 FAD 2.33918
27 2Q1W NAD 2.4024
28 3JQ8 NAP 2.43056
29 3JQF NAP 2.43056
30 3JQ9 NAP 2.43056
31 4CMI NAP 2.43056
32 4CM9 NAP 2.43056
33 4CLR NAP 2.43056
34 4CM8 NAP 2.43056
35 2DKH 3HB 2.5641
36 1TV5 A26 2.5641
37 1ORR NAD 2.59366
38 2VZ0 D64 2.61194
39 2VZ0 NAP 2.61194
40 2O1C PPV 2.66667
41 2C29 NAP 2.67062
42 1OAA OAA 2.7027
43 5OVK NDP 2.73438
44 5FEU NAP 2.74914
45 4Z24 FAD 2.849
46 4REP FAD 2.849
47 1UP7 G6P 2.849
48 2AE2 NAP 3.07692
49 2AE2 PTO 3.07692
50 5FFF NAP 3.11284
51 4FWE FAD 3.1339
52 2WQ4 SFU 3.20513
53 4ZNO SUC 3.28358
54 1H5R THM 3.41297
55 5HXI 5HN 3.4188
56 4USR FAD 3.4188
57 5EB4 FAD 3.4188
58 3H4V NAP 3.47222
59 3H4V DVP 3.47222
60 1XG5 NAP 3.58423
61 1MXH DHF 3.62319
62 1MXH NAP 3.62319
63 4G5H UD7 3.7037
64 4G5H NAP 3.7037
65 5ZBC FAD 3.7037
66 4ZRN UPG 3.84615
67 3AFN NAP 3.87597
68 5YSS NAD 3.90625
69 3X0V FAD 3.9886
70 4GUT FAD 4.03226
71 4GUS FAD 4.03226
72 4HSU FAD 4.03226
73 2VTD LKM 4.2735
74 5HSA FAS 4.2735
75 2Z3Y F2N 4.2735
76 3NTD FAD 4.2735
77 3NTA FAD 4.2735
78 3NT6 FAD 4.2735
79 4JJF N2I 4.36047
80 4J7U NAP 4.51389
81 4J7U YTZ 4.51389
82 1SB8 UD2 4.5584
83 1SB8 NAD 4.5584
84 3K7M FAD 4.8433
85 2RGO FAD 4.8433
86 5J7X FAD 4.8433
87 5WQP NAP 5.12821
88 2XVF FAD 5.41311
89 3NKS FAD 5.41311
90 3GDN FAD 5.41311
91 3GDN HBX 5.41311
92 4NBU NAI 5.6
93 5THQ NDP 5.88235
94 2QZZ NAP 5.97484
95 2QZZ EMF 5.97484
96 4EUE NAI 5.98291
97 3OID NDP 6.20155
98 4L8F MTX 6.41026
99 4MO2 FAD 6.52174
100 2D3N GLC GLC GLC 6.55271
101 1JA9 NDP 6.56934
102 3HVJ 705 6.78733
103 3SJU NDP 6.81004
104 4UP5 94W 7.07071
105 2O66 FLC 7.40741
106 1ZBQ NAD 7.64526
107 4C3Y FAD 7.69231
108 1X1T NAD 7.69231
109 1OFS SUC 8.02139
110 1E7S NAP 8.41121
111 3QDX A2G GAL 9.09091
112 5O4J SAH 9.12409
113 5O4J 9KH 9.12409
114 5O4J PJL 9.12409
115 2GND MAN 9.12698
116 5MLR NAP 9.40171
117 5MLR GRQ 9.40171
118 3RV5 DXC 10.1124
119 1AE1 NAP 10.2564
120 5Z75 NAD 10.7034
121 1WMA NDP 10.8696
122 1WMA AB3 10.8696
123 4DSG UDP 11.396
124 4DSG FAD 11.396
125 4MPO AMP 11.7647
126 3I6I NDP 12.4277
127 4RF2 NAP 13.2353
128 5DF1 58X 13.9601
129 5DF1 NAP 13.9601
130 6CI9 NAP 15.0579
131 2YY7 NAD 15.3846
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