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Receptor
PDB id Resolution Class Description Source Keywords
3TWO 2.18 Å EC: 1.1.1.195 THE CRYSTAL STRUCTURE OF CAD FROM HELICOBACTER PYLORI COMPLE NADP(H) HELICOBACTER PYLORI HELICOBACTER PYLORI CINNAMYL-ALCOHOL DEHYDROGENASE NADP(H)OXIDOREDUCTASE
Ref.: UNUSUAL NADPH CONFORMATION IN THE CRYSTAL STRUCTURE CINNAMYL ALCOHOL DEHYDROGENASE FROM HELICOBACTER PY COMPLEX WITH NADP(H) AND SUBSTRATE DOCKING ANALYSIS FEBS LETT. V. 586 337 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:601;
B:602;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
ZN A:349;
A:350;
B:349;
B:350;
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
3TWO 2.18 Å EC: 1.1.1.195 THE CRYSTAL STRUCTURE OF CAD FROM HELICOBACTER PYLORI COMPLE NADP(H) HELICOBACTER PYLORI HELICOBACTER PYLORI CINNAMYL-ALCOHOL DEHYDROGENASE NADP(H)OXIDOREDUCTASE
Ref.: UNUSUAL NADPH CONFORMATION IN THE CRYSTAL STRUCTURE CINNAMYL ALCOHOL DEHYDROGENASE FROM HELICOBACTER PY COMPLEX WITH NADP(H) AND SUBSTRATE DOCKING ANALYSIS FEBS LETT. V. 586 337 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3TWO - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3TWO - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5H81 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5FI3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5VKT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1YQD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 1YQX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3TWO - 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 : 3TWO; Ligand: NDP; Similar sites found with APoc: 891
This union binding pocket(no: 1) in the query (biounit: 3two.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 4X9D U5P None
3 2BKX F6R 0.826446
4 1C0I BE2 1.14943
5 1C0I FAD 1.14943
6 5YEC ATP 1.17647
7 2PZM UDP 1.21212
8 2PZM NAD 1.21212
9 1MUU NAD 1.43678
10 2GSD NAD 1.43678
11 1MV8 NAD 1.43678
12 5MBX SP5 1.43678
13 5MBX FAD 1.43678
14 5GSN FAD 1.43678
15 5GSN NAP 1.43678
16 2A8X FAD 1.43678
17 5GSN MMZ 1.43678
18 2DTX BMA 1.51515
19 3O26 NDP 1.60772
20 4YCA NDP 1.70068
21 2O4C NAD 1.72414
22 1GR0 NAD 1.72414
23 1UP7 NAD 1.72414
24 1X87 NAD 1.72414
25 1YQZ FAD 1.72414
26 5KVS NAP 1.72414
27 6A3J NAI 1.72414
28 1I2B USQ 1.72414
29 1I2B NAD 1.72414
30 1I2B UPG 1.72414
31 1U1I NAD 1.72414
32 3K7M FAD 1.72414
33 3PTG 932 1.72414
34 2GZ3 NAP 1.72414
35 3RC1 NAP 1.72414
36 6A3J SOE 1.72414
37 2YYY NAP 1.74927
38 1TE2 PGA 1.76991
39 2XHK AKG 1.8018
40 4JGP PYR 1.84332
41 2Q7V FAD 1.84615
42 1EQ2 NAP 1.93548
43 5L4L NAP 1.97368
44 1EBF NAD 2.01149
45 3DAG FEG 2.01149
46 2YVF FAD 2.01149
47 2YVF NAD 2.01149
48 1RM0 D6P 2.01149
49 4JDR FAD 2.01149
50 2V6G NAP 2.01149
51 1FEC FAD 2.01149
52 2FR1 NDP 2.01149
53 2JB2 PHE 2.01149
54 2JB2 FAD 2.01149
55 3BOF HCS 2.01149
56 1RM0 NAI 2.01149
57 5MZI FYK 2.01149
58 5MZI FAD 2.01149
59 4TM3 FAD 2.01149
60 2HQM FAD 2.01149
61 4KVL PLM 2.01149
62 5YU3 PRO 2.03488
63 5YU3 NAD 2.03488
64 6DNT NAD 2.03488
65 2TOH HBI 2.04082
66 2BD0 NAP 2.04918
67 4L8V NAP 2.07715
68 1RP0 AHZ 2.11268
69 2CVQ NDP 2.14067
70 5MIT NAP 2.14067
71 5MIT FAD 2.14067
72 4X5S AZM 2.15517
73 2PK3 A2R 2.18069
74 1MID LAP 2.1978
75 1LDN NAD 2.21519
76 1US5 GLU 2.2293
77 5D4V SAH 2.23881
78 2GDZ NAD 2.24719
79 3WCZ CIT 2.27273
80 5F2T PLM 2.27273
81 3WBF NAP 2.29508
82 3WBF API 2.29508
83 4XYB NDP 2.29885
84 1LVL NAD 2.29885
85 1V59 FAD 2.29885
86 5FJN FAD 2.29885
87 5FJN BE2 2.29885
88 4FWE FAD 2.29885
89 1V59 NAD 2.29885
90 1RYI GOA 2.29885
91 5TTJ FAD 2.29885
92 4J36 1HR 2.29885
93 4J36 FAD 2.29885
94 5FPE 3TR 2.29885
95 2RAB NAD 2.29885
96 1RYI FAD 2.29885
97 4TSK NDP 2.29885
98 2RAB FAD 2.29885
99 4U7W NDP 2.29885
100 3IHG FAD 2.29885
101 1YKD CMP 2.29885
102 4DSG FAD 2.29885
103 4DSG UDP 2.29885
104 3I6I NDP 2.31214
105 2XT3 ADP 2.32558
106 2UVO NAG 2.33918
107 5A1T NAI 2.34604
108 5A1T OXM 2.34604
109 5W3K 9TY 2.35294
110 5W3K NDP 2.35294
111 3ICC NAP 2.35294
112 4ZCC FAD 2.38095
113 4ZCC NAI 2.38095
114 2DM6 IMN 2.4024
115 2DM6 NAP 2.4024
116 5L53 NAP 2.46914
117 1J6X MET 2.5
118 3WXB NDP 2.50896
119 3OA2 NAD 2.51572
120 2RH4 EMO 2.52708
121 1KYQ NAD 2.55474
122 1DRV A3D 2.5641
123 2F5X ASP 2.5641
124 1P77 ATR 2.57353
125 4D3F NAP 2.58065
126 1N1G BCP 2.58621
127 1VJT NAD 2.58621
128 1BZL GCG 2.58621
129 1BZL FAD 2.58621
130 1YKJ FAD 2.58621
131 1YKJ PHB 2.58621
132 4XFR CIT 2.58621
133 1RYD NDP 2.58621
134 6GZD LCI 2.58621
135 3ZOA ACR 2.58621
136 1G51 AMP 2.58621
137 1H6C NDP 2.58621
138 2POC UD1 2.58621
139 1E1M FAD 2.58621
140 1E1M NAP 2.58621
141 2Z48 NGA 2.58621
142 4MOP 2H5 2.58621
143 5XWV NDP 2.58621
144 1KEW NAD 2.58621
145 5XWV 8H6 2.58621
146 1H6C SIN 2.58621
147 4U8P UDP 2.58621
148 4U8P FDA 2.58621
149 1GPM AMP 2.58621
150 4JJF FE9 2.61628
151 4CS9 AMP 2.6455
152 1CF2 NAP 2.67062
153 2XOC ADE 2.68199
154 1U7T NAD 2.68199
155 1U7T TDT 2.68199
156 2ZAT NAP 2.69231
157 6CEP OXM 2.69461
158 6CEP NAD 2.69461
159 6A0S HSE 2.71084
160 6A0S NDP 2.71084
161 3TN7 NJP 2.72374
162 4NBW NAD 2.72374
163 1XHC FAD 2.7248
164 1B8U NAD 2.73556
165 1B8U OAA 2.73556
166 2HJR APR 2.7439
167 3O03 NAP 2.74914
168 3FPZ AHZ 2.76074
169 2CVZ NDP 2.76817
170 1WP4 NDP 2.76817
171 1OMO NAD 2.79503
172 5J60 FAD 2.8125
173 3CTY FAD 2.82132
174 4URF NAD 2.82258
175 4G7A AZM 2.82258
176 4UP3 NDP 2.86624
177 4UP3 FAD 2.86624
178 2CDU ADP 2.87356
179 4DPL NAP 2.87356
180 1E5Q NDP 2.87356
181 5E4R NAP 2.87356
182 1DLJ UGA 2.87356
183 1DLJ NAI 2.87356
184 3GD4 NAD 2.87356
185 1H82 GZZ 2.87356
186 1H82 FAD 2.87356
187 2NPX NAD 2.87356
188 3A06 NDP 2.87356
189 5BUK FAD 2.87356
190 3A06 FOM 2.87356
191 5YAP NAI 2.87356
192 1BXK NAD 2.87356
193 5YAP 8S0 2.87356
194 1WVG APR 2.87356
195 1O0S NAI 2.87356
196 4B63 ORN 2.87356
197 4B63 NAP 2.87356
198 4B63 FAD 2.87356
199 2CDU FAD 2.87356
200 4EDF UPG 2.87356
201 5X20 NAD 2.88462
202 2Q0L NAP 2.89389
203 2Q0L FAD 2.89389
204 1GUZ NAD 2.90323
205 5TWB FAD 2.90698
206 5NII FAD 2.91262
207 4XDZ NDP 2.91545
208 5MTE BB2 2.91971
209 5THQ NDP 2.94118
210 1R6D NAD 2.96736
211 1R6D DAU 2.96736
212 3L4S NAD 2.97619
213 3L4S 3PG 2.97619
214 4XB2 NDP 2.98507
215 4XB2 HSE 2.98507
216 1VI2 NAD 3
217 3OIG NAD 3.00752
218 6GAS FAD 3.02115
219 5K0A FAD 3.0303
220 4OSP NAP 3.04183
221 4TQG NDP 3.09598
222 3A28 NAD 3.10078
223 1NPD NAD 3.125
224 3H4V NAP 3.125
225 5M67 NAD 3.16092
226 5M67 ADE 3.16092
227 1PJS NAD 3.16092
228 5M67 3D1 3.16092
229 2I3G NAP 3.16092
230 1MO9 KPC 3.16092
231 1MO9 FAD 3.16092
232 2ZXI FAD 3.16092
233 5HSA FAS 3.16092
234 2QRK AMP 3.16092
235 3WMX NAD 3.16092
236 5DF1 58X 3.16092
237 5DF1 NAP 3.16092
238 3B6Z CO7 3.16092
239 1J5P NAD 3.16206
240 2QA1 FAD 3.2
241 2VGD XYP XYP 3.21101
242 2F1K NAP 3.22581
243 1XG5 NAP 3.22581
244 2JAP NDP 3.23887
245 5CG1 NAD BBN 3.27869
246 4MDH NAD 3.29341
247 1O6Z NAD 3.30033
248 5MDH NAD 3.3033
249 1V6A TRE 3.31325
250 1HDG NAD 3.31325
251 2DT5 NAD 3.31754
252 6BWL NAD 3.35366
253 4LZB URA 3.36134
254 3NOJ PYR 3.36134
255 5ZZ6 NAD 3.36538
256 5ZZ6 ADP 3.36538
257 5K4W THR 3.42679
258 5K4W NAI 3.42679
259 1X7D ORN 3.44828
260 1X7D NAD 3.44828
261 2ZB4 NAP 3.44828
262 2ZB4 5OP 3.44828
263 1U8X NAD 3.44828
264 6C4M NAP 3.44828
265 1GQ2 NAP 3.44828
266 1QMG APX 3.44828
267 2Z3Y F2N 3.44828
268 5ZDK ATP 3.44828
269 5KMS NAD 3.44828
270 4M52 M52 3.44828
271 4M52 FAD 3.44828
272 3V1U NAD 3.44828
273 1REO FAD 3.44828
274 1P31 EPU 3.44828
275 5TS5 FAD 3.44828
276 5JY6 NAD 3.44828
277 5JCM ISD 3.44828
278 5JCM FAD 3.44828
279 5JCM NAD 3.44828
280 3BY9 SIN 3.46154
281 4RDH AMP 3.47222
282 4RDI ATP 3.47222
283 3GGO NAI 3.50318
284 3GGO ENO 3.50318
285 4KP7 NAP 3.51288
286 4KP7 1UQ 3.51288
287 1G0N NDP 3.53357
288 1G0N PHH 3.53357
289 2Q46 NAP 3.55731
290 3ORF NAD 3.58566
291 4PLG OXM 3.59281
292 4PLG NAI 3.59281
293 5NUF NAD 3.61446
294 9LDT NAD 3.61446
295 5NUE NAD 3.61446
296 9LDB NAD 3.61446
297 3LZW NAP 3.61446
298 3LZW FAD 3.61446
299 2EWM NAD 3.61446
300 4D79 ATP 3.62319
301 1SOW NAD 3.65854
302 4J6W CDP 3.65854
303 5Z75 NAD 3.66972
304 1HDR NAD 3.68852
305 2Z9I GLY ALA THR VAL 3.7037
306 3DCJ THH 3.72093
307 5Y8L NAD 3.72881
308 5Y8L HUI 3.72881
309 3ICT ADP 3.73563
310 3ICS ADP 3.73563
311 6F3N NAD 3.73563
312 6F3N ADN 3.73563
313 6F3M NAD 3.73563
314 1V8B NAD 3.73563
315 1KJ8 GAR 3.73563
316 1OFL NGK GCD 3.73563
317 5J5Z FAD 3.73563
318 3AXB PRO 3.73563
319 1Q0H NDP 3.73563
320 1T5C ADP 3.73563
321 1Q0H FOM 3.73563
322 3AXB FAD 3.73563
323 3LU1 NAD 3.73563
324 3ETG GTP 3.73563
325 3ETG GLU 3.73563
326 3ETG NDP 3.73563
327 3ZNN FAD 3.7464
328 3ZNN 4WL 3.7464
329 1UGX GAL MGC 3.7594
330 3H8V ATP 3.76712
331 2QHS OCA 3.79747
332 5GT9 NAP 3.80228
333 5WQP NAP 3.84615
334 5WQP NCA 3.84615
335 1RM4 NDP 3.85757
336 2AHR NAP 3.861
337 1GV0 NAD 3.87097
338 5N2I NAP 3.87931
339 3CBG SAH 3.87931
340 1HYH NAD 3.8835
341 4KOA NDP 3.9039
342 2G5C NAD 3.91459
343 2GLX NDP 3.91566
344 5L95 AMP 3.94265
345 5U5N NAD 3.94265
346 1W8D NAP 3.97351
347 1W73 NAP 3.97351
348 1W6U NAP 3.97351
349 3KP6 SAL 3.97351
350 4R5M NAP 4.02299
351 4R5M 4NO 4.02299
352 3S5W NAP 4.02299
353 5MSO NAP 4.02299
354 3S5W FAD 4.02299
355 2IXB NAD 4.02299
356 5BJX NAD 4.02299
357 5BJX UDP 4.02299
358 1K1Y MAL 4.02299
359 2NVK NAP 4.02299
360 1SB8 UD2 4.02299
361 4YKG NAD 4.02299
362 2IXB A2G 4.02299
363 1SB8 NAD 4.02299
364 5UAO FAD 4.02299
365 6F9Q NAD 4.04412
366 4CJX NAP 4.07523
367 1C3M MAN MAN 4.08163
368 3WV8 ATP 4.12844
369 6BSW UDP 4.14201
370 4NBT NAD 4.16667
371 1JT1 MCO 4.18251
372 5AYV KPL 4.20712
373 5AYV NAP 4.20712
374 1ZQ9 SAM 4.21053
375 1E3W NAD 4.21456
376 4ZVV GN0 4.21687
377 4ZVV NAD 4.21687
378 1E6W NAD 4.23077
379 3FXU TSU 4.2623
380 1FK8 NAD 4.28016
381 1ZBQ NAD 4.28135
382 2ZJ1 ARJ 4.31034
383 2ZJ1 NAD 4.31034
384 3H5N ATP 4.31034
385 4AP3 NAP 4.31034
386 4AP3 FAD 4.31034
387 3AYI HCI 4.31034
388 3AYI FAD 4.31034
389 5GZZ GSH 4.31034
390 2GV8 NDP 4.31034
391 2GVC FAD 4.31034
392 1D4D FAD 4.31034
393 1VQW FAD 4.31034
394 3G5S FAD 4.31034
395 2GV8 FAD 4.31034
396 5TUK FAD 4.31034
397 4M3P HCS 4.31034
398 3LAD FAD 4.31034
399 3WQQ NDP 4.31034
400 3WQQ IB3 4.31034
401 3ZUY TCH 4.33437
402 3CYQ AMU 4.34783
403 1WMA AB3 4.34783
404 1WMA NDP 4.34783
405 2A92 NAI 4.36137
406 1A5Z NAD 4.38871
407 6AR9 3L4 4.41176
408 5TC4 NAD 4.43038
409 1J49 NAD 4.5045
410 2ZL4 ALA ALA ALA ALA 4.59184
411 1SC6 NAD 4.5977
412 1GZ4 ATP 4.5977
413 1WPQ NAD 4.5977
414 4OOE NDP 4.5977
415 4OOE FOM 4.5977
416 1ZK7 FAD 4.5977
417 2XVE FAD 4.5977
418 2XVF FAD 4.5977
419 4MIG G3F 4.5977
420 2Y6Q FAD 4.5977
421 4J1Q NDP 4.5977
422 2IID FAD 4.5977
423 2IID PHE 4.5977
424 2XZ9 PYR 4.62963
425 2VT3 ATP 4.65116
426 2F5Z FAD 4.6875
427 1GZ6 NAI 4.70219
428 2DKN NAI 4.70588
429 5A04 BGC 4.71976
430 5A04 NDP 4.71976
431 5O4J 9KH 4.74453
432 5O4J PJL 4.74453
433 5O4J SAH 4.74453
434 1NYT NAP 4.79705
435 1CER NAD 4.83384
436 3VPH NAD 4.83871
437 3VPH OXM 4.83871
438 4GUS FAD 4.83871
439 4GUT FAD 4.83871
440 4HSU FAD 4.83871
441 1IY8 NAD 4.86891
442 2IZ1 ATR 4.88506
443 1Y8Q ATP 4.88506
444 6EL3 NAP 4.88506
445 1Y7P RIP 4.88506
446 1Z45 NAD 4.88506
447 3HB5 NAP 4.89297
448 3H9E NAD 4.91329
449 5EIN NAP 4.94186
450 2AG8 NAP 4.94297
451 4DFU QUE 4.96894
452 3U4C NDP 4.98221
453 1E7S NAP 4.98442
454 3B20 NAD 5.01475
455 3Q3C NAD 5.01672
456 1OAA OAA 5.01931
457 5L4S 6KX 5.03145
458 5L4S NAP 5.03145
459 5O98 NAP 5.04732
460 5OVK NDP 5.07812
461 2Q1W NAD 5.1051
462 3O9Z NAD 5.12821
463 3O9Z AKG 5.12821
464 1LDM NAD 5.16717
465 3ABI NAD 5.17241
466 1BXG NAD 5.17241
467 1C1X NAD 5.17241
468 5KOD IAC 5.17241
469 3RNM FAD 5.17241
470 1BW9 NAD 5.17241
471 4EUE NAI 5.17241
472 1C1X HFA 5.17241
473 4EMI NAD 5.17241
474 3AB1 FAD 5.17241
475 1BW9 PPY 5.17241
476 5J7X FAD 5.17241
477 6GNA FAD 5.20833
478 4J7U NAP 5.20833
479 4J7U YTZ 5.20833
480 1FWV SGA MAG FUC 5.22388
481 1VL8 NAP 5.24345
482 3GEG NAD 5.26316
483 5NM7 GLY 5.26316
484 1J3R 6PG 5.26316
485 5UAV TFB 5.2795
486 5UAV NDP 5.2795
487 4Z0H NAD 5.38922
488 5BSH PRO 5.41516
489 1KC7 PPR 5.45977
490 5UR0 NAD 5.45977
491 4YT4 FE9 5.45977
492 4XQC NAD 5.45977
493 1YS4 NAP 5.45977
494 4XQC 13D 5.45977
495 5GUD NDP 5.45977
496 5OC1 FAD 5.45977
497 2QK4 ATP 5.45977
498 5O42 9JW 5.47445
499 5O42 BGC 5.47445
500 5O42 NAD 5.47445
501 2B4R NAD 5.50725
502 2B4R AES 5.50725
503 4RF2 NAP 5.51471
504 4JD0 1KH 5.57769
505 3C1O NAP 5.60748
506 1YJQ NAP 5.61056
507 1F06 2NP 5.625
508 1F06 NDP 5.625
509 3V1Y NAD 5.63798
510 2C29 NAP 5.63798
511 4Q9N NAI 5.7047
512 1LSS NAD 5.71429
513 1J0X NAD 5.72289
514 4YAC NAI 5.72391
515 1PZG A3D 5.74018
516 5Z21 NAI 5.74713
517 1LJ8 NAD 5.74713
518 2VVM FAD 5.74713
519 2VVL FAD 5.74713
520 1TB4 PEJ 5.74713
521 5BVA FAD 5.74713
522 1GEE NAD 5.74713
523 1M2W NAD 5.74713
524 5JCA FAD 5.74713
525 5JCA NDP 5.74713
526 5G3U FDA 5.74713
527 5G3U ITW 5.74713
528 3KLJ FAD 5.74713
529 2E5V FAD 5.74713
530 5VN0 NAI 5.74713
531 2AQJ FAD 5.74713
532 2AQJ TRP 5.74713
533 1OBB NAD 5.74713
534 2WET FAD 5.74713
535 5VN0 FAD 5.74713
536 1BDB NAD 5.77617
537 1VL0 NAI 5.82192
538 3QJ4 FAD 5.84795
539 1T26 NAI 5.90062
540 1T26 GBD 5.90062
541 2NU8 COA 5.90278
542 1NVT NAP 5.92335
543 4B4U NAP 5.94059
544 6AA8 NAD 5.96026
545 5NXX 3Q7 5.97015
546 1DSS NAD 6.00601
547 4E13 NAD 6.00707
548 1O5I NAD 6.0241
549 4O1M NAD 6.03175
550 4ZGS NAD 6.03448
551 1HKU NAD 6.03448
552 6C4T NA7 6.03448
553 5CAE SIN 6.03448
554 5CAE COA 6.03448
555 1UWK NAD 6.03448
556 1UWK URO 6.03448
557 6GAR FAD 6.03448
558 5X68 FAD 6.03448
559 5U5G NAP 6.1017
560 2GN4 UD1 6.10465
561 2GN4 NDP 6.10465
562 1PR9 NAP 6.14754
563 2B4Q NAP 6.15942
564 3VYW SAM 6.16883
565 4JK3 NAD 6.17761
566 1DIG NAP 6.20915
567 1DIG L37 6.20915
568 4NTC FAD 6.26866
569 1LUA NAP 6.27178
570 5JE8 NAD 6.29139
571 3AY6 NAI 6.3197
572 2OOR NAD 6.32184
573 1F8G NAD 6.32184
574 3ULK NDP 6.32184
575 1NM5 NAD 6.32184
576 2Q1S NAI 6.32184
577 1L7E NAI 6.32184
578 5JWC FAD 6.33397
579 2YN4 39J 6.35593
580 1HYE NAP 6.38978
581 4HXY NDP 6.39269
582 3AD8 PYC 6.40394
583 3AD8 FAD 6.40394
584 3AD8 NAD 6.40394
585 5KKA 6V0 6.41026
586 5A96 GTP 6.4257
587 1Y1P NMN AMP PO4 6.43275
588 5XK9 DMA 6.46552
589 1H5R G1P 6.48464
590 4BVA NDP 6.56716
591 4BVA T3 6.56716
592 3LA3 2FT 6.58436
593 3EF0 ALF 6.6092
594 5N0J FAD 6.6092
595 2B9W FAD 6.6092
596 2GMH FAD 6.6092
597 2BKA NDP 6.61157
598 2GAG FAD 6.66667
599 2GAG FOA 6.66667
600 5HWK BEZ 6.66667
601 2GAG NAD 6.66667
602 3SJ7 NDP 6.74603
603 4NBU NAI 6.8
604 1X14 NAD 6.89655
605 2D2I NAP 6.89655
606 1PS9 NAP 6.89655
607 5F7U GLC GLC 6.89655
608 3UCL NAP 6.89655
609 3UCL FAD 6.89655
610 3UCL CYH 6.89655
611 1VKO NAD 6.89655
612 4X9M FAD 6.89655
613 3BAZ NAP 6.90691
614 3JQA NAP 6.94444
615 5JDC NAP 6.94444
616 5JDI NAP 6.94444
617 3BMO NAP 6.94444
618 5JCJ NAP 6.94444
619 3BMQ NAP 6.94444
620 5K6A NAP 6.94444
621 3JQ7 NAP 6.94444
622 4CM4 NAP 6.94444
623 4CM8 NAP 6.94444
624 3JQ8 NAP 6.94444
625 3JQF NAP 6.94444
626 4CLO NAP 6.94444
627 3JQB NAP 6.94444
628 3JQ9 NAP 6.94444
629 4CMI NAP 6.94444
630 4CME NAP 6.94444
631 3BMN NAP 6.94444
632 3JQG NAP 6.94444
633 4CLR NAP 6.94444
634 4CM9 NAP 6.94444
635 5W6Y TRP 6.96203
636 2JL1 NAP 6.96864
637 3OID NDP 6.97674
638 5OVL NAP 7
639 3GU3 SAH 7.04225
640 4D42 W0I 7.0922
641 4D42 NAP 7.0922
642 4OM8 NAD 7.11974
643 4R1S NAP 7.12166
644 3NJ4 AFX 7.18391
645 3NJ4 NAD 7.18391
646 4XWT U5P 7.18391
647 3SQP FAD 7.18391
648 5Y77 FAD 7.18391
649 3CMC NAD 7.18563
650 2CFC NAD 7.2
651 5FEU NAP 7.2165
652 4II2 ATP 7.22892
653 3NGL NAP 7.24638
654 2YVJ NAI 7.33945
655 5L8L ADP 7.36842
656 1EDO NAP 7.37705
657 5OJL TXP 7.38255
658 2WD7 NAP 7.46269
659 2ZB3 NDP 7.47126
660 5LD5 NAD 7.47126
661 2BGM NAJ 7.47126
662 3L9W AMP 7.47126
663 3L9W GSH 7.47126
664 1ORR NAD 7.4928
665 1JAY NAP 7.54717
666 5NC1 NAG 7.59494
667 1O5O U5P 7.69231
668 3KO8 NAD 7.69231
669 2NAD NAD 7.75862
670 3OND ADN 7.75862
671 3OND NAD 7.75862
672 5YB7 FAD 7.75862
673 5YB7 ORN 7.75862
674 6F3G CJN 7.79661
675 2VYN NAD 7.85498
676 1GAD NAD 7.87879
677 4NTD FAD 7.94118
678 1I36 NAP 7.95455
679 5EO8 TFU 8.03859
680 6ER9 FAD 8.04598
681 6ER9 NAP 8.04598
682 5G4L NDP 8.04598
683 3UOY FAD 8.04598
684 3UOY NAP 8.04598
685 1GY8 NAD 8.04598
686 5T2U NAP 8.06452
687 1FLJ GSH 8.07692
688 5FFF NAP 8.17121
689 1EZ4 NAD 8.1761
690 4CQM NAP 8.19672
691 1ZH8 NAP 8.23529
692 4FN4 NAD 8.26772
693 2B5W NAP 8.33333
694 4PIV NDP 8.33333
695 5ODQ 9SB 8.3612
696 5ODQ FAD 8.3612
697 2DBZ NAP 8.38323
698 3CH6 NAP 8.39161
699 3CH6 311 8.39161
700 5EPO NAP 8.39695
701 4PLT NAI 8.45921
702 4PLT OXM 8.45921
703 3I7S PYR 8.56164
704 2JFV FLC 8.59107
705 5TOW NAI 8.62069
706 5TOW ADN 8.62069
707 2JHP SAH 8.62069
708 3NYC IAR 8.62069
709 3NYC FAD 8.62069
710 3CGB FAD 8.62069
711 5Z2F NAP 8.67924
712 3IT7 TLA 8.79121
713 2BOS GLA GAL GLC NBU 8.82353
714 4JNA FAD 8.82353
715 3QV1 NAD 8.90208
716 1UZN NAP 8.90688
717 1N9G NAP 8.90805
718 4WAS NAP 8.90805
719 4WAS COO 8.90805
720 3CGD FAD 8.90805
721 2CUN 3PG 8.90805
722 3CGD COA 8.90805
723 3CGD NAD 8.90805
724 3KB6 NAD 8.98204
725 1N5D NDP 9.02778
726 4MP8 MLI 9.14454
727 4MP8 NAD 9.14454
728 1WDK NAD 9.1954
729 5AOV NAP 9.22619
730 3QWI NAP 9.25926
731 6BII NAP 9.30931
732 4E5N NAD 9.39394
733 3KIF GDL 9.43396
734 3I6B KDO 9.44444
735 1Q9I TEO 9.45709
736 1Q9I FAD 9.45709
737 4D04 FAD 9.48276
738 4D04 NAP 9.48276
739 2QJT AMP 9.48276
740 5OCM NAP 9.62199
741 1VM6 NAD 9.64912
742 1P9B HDA 9.72851
743 4KQW NAP 9.77011
744 3C7A NAD 9.77011
745 5XVH NAP 9.80392
746 1JA9 NDP 9.85401
747 1P1C SAH 10.0503
748 1E6E FAD 10.1562
749 3K5I AIR 10.1737
750 3CIF NAD 10.3448
751 1OC2 TDX 10.3448
752 1OC2 NAD 10.3448
753 3CIF G3H 10.3448
754 4XDY NAI 10.355
755 3WGT FAD 10.3746
756 3WGT QSC 10.3746
757 2P3V SRT 10.5469
758 5NMX FAD 10.6322
759 5NMX NAP 10.6322
760 2EV9 NAP 10.6464
761 2EV9 SKM 10.6464
762 5T9E NAP 10.7011
763 5GZ6 7C3 10.7362
764 5GZ6 NDP 10.7362
765 3SJU NDP 10.7527
766 1WQ1 AF3 10.8434
767 6F5U CQN 10.9091
768 1Z82 NDP 11.0448
769 1ZEM NAD 11.0687
770 1H74 ILE 11.1486
771 6CI9 NAP 11.1969
772 5MQ6 NDP 11.2069
773 4IV9 FAD 11.2069
774 5Z20 NAI 11.3043
775 3QWB NDP 11.3772
776 4G5H NAP 11.4943
777 4G5H UD7 11.4943
778 3W2W ATP 11.4943
779 5ZI2 NAD 11.5942
780 5ZI2 ADP 11.5942
781 3HAD NAD 11.6883
782 5EES NAP 11.7409
783 1C3V NDP 11.8367
784 5YRF GLC GLC 11.9718
785 5N6C NAD 12
786 4O0L NDP 12
787 1PTR PRB 12
788 4YSX FAD 12.1795
789 5U8U FAD 12.3563
790 2XKO AKG 12.3596
791 5X9D 80F 12.5
792 3ZVS MLI 12.5
793 2B1N LYS ALA SER VAL GLY 12.6016
794 3T31 DCQ 12.6437
795 3T31 FAD 12.6437
796 3B1F NAD 12.7586
797 3F81 STT 13.1148
798 5DP2 NAP 13.1579
799 3FUU ADN 13.2841
800 5DN9 NAD 13.5057
801 4YAG NAI 13.8408
802 2HK9 NAP 14.1818
803 2HK9 ATR 14.1818
804 3CF6 SP1 14.3713
805 1SAY PYR 14.4044
806 2PV7 NAD 14.4295
807 3AI8 HNQ 14.4531
808 1UXG FUM 14.5631
809 1UXG NAD 14.5631
810 4OPC PGT 14.6552
811 2CUL FAD 14.6552
812 4OPC FDA 14.6552
813 2WPF FAD 14.9425
814 2WPF WPF 14.9425
815 1AE1 NAP 15.0183
816 4Y9D NAI 15.082
817 4XZ3 COA 15.2174
818 4XZ3 ACP 15.2174
819 4XYM COA 15.2174
820 1LTH NAD 15.3605
821 2QZZ NAP 15.4088
822 2QZZ EMF 15.4088
823 2GCG NDP 15.7576
824 2AE2 PTO 15.7692
825 2AE2 NAP 15.7692
826 1RSG FAD 16.092
827 5OFW 9TW 16.1435
828 4RVU NDP 16.2651
829 1YY5 FAD 16.3793
830 1H5Q NAP 16.6038
831 5T9F TYR 16.6052
832 5T9F NAP 16.6052
833 6C4N NAP 16.6667
834 4TXI FAD 16.6667
835 2BRY FAD 16.6667
836 1HFE CYS 17.0732
837 1NVM NAD 17.3077
838 2HMT NAI 17.3611
839 4B7X NAP 17.5595
840 5N53 8NB 18.4615
841 2VHW NAI 18.6782
842 1DJN ADP 19.2529
843 1O94 ADP 19.2529
844 5DOZ NDP 19.5266
845 4YRY FAD 19.5402
846 4YRY NAD 19.5402
847 3B1J NAD 20
848 3OJO NAD 20.977
849 1KOL NAD 21.608
850 2DC1 NAD 22.0339
851 4IDC 1XX 22.8916
852 4IDC NDP 22.8916
853 1YKF NAP 23.2759
854 1KEV NDP 23.2759
855 2DFV NAD 23.9193
856 4J4H 1J1 24.7104
857 4J4H NAI 24.7104
858 4RQU NAD 24.7126
859 1PL6 572 24.7126
860 1PL6 NAD 24.7126
861 2J8Z NAP 24.7126
862 5O9F NAD 25.2874
863 5O9F 9ON 25.2874
864 4A0S NAP 26.4368
865 2FZW NAD 27.2989
866 1YB5 NAP 27.8736
867 3JYN NDP 29.2308
868 1CDO NAD 30.1724
869 4C2W ANP 30.7692
870 4JBI NDP 32.973
871 3GFB NAD 33.3333
872 2CDC XYP 36.2069
873 2CDC XYS 36.2069
874 2CDC NAP 36.2069
875 1F8F NAD 37.3563
876 1E3I CXF 37.931
877 1P0F NAP 38.6059
878 1U3U NAD 39.0805
879 1U3U BNF 39.0805
880 4Y1B NAP 39.9425
881 1D1T NAD 40.2299
882 3WLE NAD 40.4692
883 2JHF NAD 41.092
884 1R37 NAD 44.5402
885 1H2B NAJ 44.5402
886 1R37 ETX 44.5402
887 4W6Z 8ID 45.8213
888 4W6Z ETF 45.8213
889 4GKV NAD 46.4286
890 1LLU NAD 47.9532
891 1RJW ETF 48.3776
Pocket No.: 2; Query (leader) PDB : 3TWO; Ligand: NDP; Similar sites found with APoc: 35
This union binding pocket(no: 2) in the query (biounit: 3two.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 1Q8A HCS 2.01149
3 4Y4V DAL 2.0649
4 3KC1 2T6 2.37389
5 2CYB TYR 2.47678
6 6I6X H6B 2.58621
7 5EZ1 ICB 2.88809
8 2RI1 GLP 2.97872
9 1VBH PEP 3.16092
10 1B4P GPS 3.22581
11 2FB3 MET 3.52941
12 3ITJ CIT 3.5503
13 3LN9 FLC 3.73563
14 4GAH 0ET 3.82775
15 2WQ4 SFU 3.84615
16 1JJV ATP 3.8835
17 1Q19 SSC 4.02299
18 5NQR 958 4.10959
19 2VVG ADP 4.5977
20 2CYC TYR 4.88506
21 4EVQ PHB 5.45977
22 4KBA 1QM 6.0423
23 3D3W NAP 6.14754
24 1VBO MAN MAN MAN 6.71141
25 1DKU AP2 6.94006
26 1QK3 5GP 7.29614
27 1O8B ABF 8.6758
28 3ISO GSH 9.17431
29 6F5W KG1 10.3448
30 1FS5 TLA 11.2782
31 4GKY MAN 12.2605
32 3GRU AMP 13.5593
33 2YY8 MTA 14.4279
34 5CQG 55C 18.1034
35 1H2B OCA 44.5402
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