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Receptor
PDB id Resolution Class Description Source Keywords
4JBI 2.35 Å EC: 1.1.1.1 2.35A RESOLUTION STRUCTURE OF NADPH BOUND THERMOSTABLE ALCOH DEHYDROGENASE FROM PYROBACULUM AEROPHILUM PYROBACULUM AEROPHILUM ALCOHOL DEHYDROGENASE THERMOSTABILITY ZINC BINDING NADPHOXIDOREDUCTASE
Ref.: PHYSICOCHEMICAL CHARACTERIZATION OF A THERMOSTABLE DEHYDROGENASE FROM PYROBACULUM AEROPHILUM. PLOS ONE V. 8 63828 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP O:401;
E:401;
M:401;
N:401;
G:401;
H:401;
P:401;
K:401;
L:401;
F:401;
A:401;
D:401;
B:401;
J:401;
I:401;
C:401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
ZN I:402;
J:402;
N:402;
P:402;
C:402;
A:402;
E:402;
H:402;
G:402;
L:402;
O:402;
M:402;
D:402;
K:402;
B:402;
F:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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;
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
4JBI 2.35 Å EC: 1.1.1.1 2.35A RESOLUTION STRUCTURE OF NADPH BOUND THERMOSTABLE ALCOH DEHYDROGENASE FROM PYROBACULUM AEROPHILUM PYROBACULUM AEROPHILUM ALCOHOL DEHYDROGENASE THERMOSTABILITY ZINC BINDING NADPHOXIDOREDUCTASE
Ref.: PHYSICOCHEMICAL CHARACTERIZATION OF A THERMOSTABLE DEHYDROGENASE FROM PYROBACULUM AEROPHILUM. PLOS ONE V. 8 63828 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4JBI - 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 11 families.
1 4JBI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4JBI - 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 : 4JBI; Ligand: NDP; Similar sites found with APoc: 493
This union binding pocket(no: 1) in the query (biounit: 4jbi.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3BY8 MLT None
2 3KO8 NAD 1.28205
3 1TB4 PEJ 1.35135
4 1LDN NAD 1.58228
5 1E5Q NDP 1.62162
6 5TOW NAI 1.62162
7 5TOW ADN 1.62162
8 1U1I NAD 1.62162
9 6GSG RCO 1.62162
10 1DSS NAD 1.8018
11 2GCG NDP 1.81818
12 1T26 GBD 1.86335
13 1T26 NAI 1.86335
14 4XQC NAD 1.89189
15 4XQC 13D 1.89189
16 2VHW NAI 1.89189
17 2FR1 NDP 1.89189
18 2E5V FAD 1.89189
19 1I2B NAD 1.89189
20 1I2B USQ 1.89189
21 1I2B UPG 1.89189
22 5X9D 80F 1.97368
23 1ORR NAD 2.01729
24 5Y8L NAD 2.0339
25 5Y8L HUI 2.0339
26 3V1Y NAD 2.07715
27 4GLL NAD 2.07715
28 2FMD MAN MAN 2.08333
29 4Z0H NAD 2.09581
30 1CER NAD 2.1148
31 4A59 AMP 2.16216
32 3ULK NDP 2.16216
33 2YVF FAD 2.16216
34 2YVF NAD 2.16216
35 1Q19 SSC 2.16216
36 4JDR FAD 2.16216
37 1OMO NAD 2.17391
38 1EZ4 NAD 2.20126
39 3C7A NAD 2.22772
40 4D3F NAP 2.25806
41 4OM8 NAD 2.26537
42 1OC2 TDX 2.29885
43 1OC2 NAD 2.29885
44 1J5P NAD 2.37154
45 1P4V GLY 2.37288
46 1VL0 NAI 2.39726
47 5EES NAP 2.42915
48 1B8U OAA 2.43161
49 1B8U NAD 2.43161
50 1SAY PYR 2.43243
51 2NAD NAD 2.43243
52 1V59 FAD 2.43243
53 4RPL FAD 2.43243
54 4RPL 3UC 2.43243
55 4R5M 4NO 2.43243
56 4R5M NAP 2.43243
57 5UAV NDP 2.48447
58 5UAV TFB 2.48447
59 1KEW NAD 2.49307
60 1KEW TYD 2.49307
61 5TC4 NAD 2.53165
62 5CAE SIN 2.55591
63 5CAE COA 2.55591
64 1O6Z NAD 2.64026
65 4PLG OXM 2.69461
66 4PLG NAI 2.69461
67 1GQ2 NAP 2.7027
68 4HXY NDP 2.7027
69 1KJ8 GAR 2.7027
70 3DDN HPV 2.7027
71 5VN0 NAI 2.7027
72 1QMG APX 2.7027
73 1I8T FAD 2.7248
74 2V6G NAP 2.74725
75 5DN9 NAD 2.74725
76 3F8D FAD 2.78638
77 5L4S NAP 2.83019
78 5L4S 6KX 2.83019
79 3A4V PYR 2.83912
80 3A4V NAD 2.83912
81 1SB8 UD2 2.84091
82 5YU3 PRO 2.90698
83 5YU3 NAD 2.90698
84 6DNT NAD 2.90698
85 1DRV A3D 2.9304
86 2DC1 NAD 2.9661
87 6C4N NAP 2.97297
88 2WPF WPF 2.97297
89 2WPF FAD 2.97297
90 5N6C NAD 3
91 1G0N PHH 3.18021
92 1G0N NDP 3.18021
93 5ZI2 NAD 3.18841
94 5ZI2 ADP 3.18841
95 5Z20 NAI 3.18841
96 1HYE NAP 3.19489
97 5KKA 6V0 3.20513
98 4OOE FOM 3.24324
99 4OOE NDP 3.24324
100 1Q0H NDP 3.24324
101 1Q0H FOM 3.24324
102 1PJS NAD 3.24324
103 3CMC NAD 3.29341
104 1J0X NAD 3.31325
105 1RYO OXL 3.36391
106 5ZZ6 NAD 3.36538
107 5ZZ6 ADP 3.36538
108 5Z2F NAP 3.39623
109 4YCA NDP 3.40136
110 2BQP GLC 3.4188
111 2EV9 NAP 3.42205
112 2EV9 SKM 3.42205
113 4J7U NAP 3.47222
114 4J7U YTZ 3.47222
115 1OAA OAA 3.4749
116 4XZ3 COA 3.47826
117 2GN4 NDP 3.48837
118 2GN4 UD1 3.48837
119 3AFN NAP 3.48837
120 3VZS NAP 3.50195
121 3VZS CAA 3.50195
122 5KMS NAD 3.51351
123 2P3V SRT 3.51562
124 3VPH NAD 3.54839
125 3VPH OXM 3.54839
126 2QRK AMP 3.5533
127 5U5N NAD 3.58423
128 6CEP OXM 3.59281
129 6CEP NAD 3.59281
130 1A8U BEZ 3.61011
131 5J5Z FAD 3.62903
132 3RNM FAD 3.63636
133 1AE1 NAP 3.663
134 2CVQ NDP 3.66972
135 1YS4 NAP 3.67232
136 4TQG NDP 3.71517
137 1FWV SGA MAG FUC 3.73134
138 3C1O NAP 3.73832
139 1VL8 NAP 3.74532
140 1GZ4 ATP 3.78378
141 3A06 NDP 3.78378
142 3ICT ADP 3.78378
143 3A06 FOM 3.78378
144 3ICS ADP 3.78378
145 3T31 DCQ 3.78378
146 3T31 FAD 3.78378
147 5MSO NAP 3.78378
148 3H9E NAD 3.78378
149 1I36 NAP 3.78788
150 1WP4 NDP 3.80623
151 5BJX UDP 3.82514
152 5BJX NAD 3.82514
153 3ABI NAD 3.83562
154 1CF2 NAP 3.85757
155 4J4H NAI 3.861
156 4J4H 1J1 3.861
157 4JK3 NAD 3.861
158 5AYV KPL 3.8835
159 4XYM COA 3.91304
160 6A0S NDP 3.91566
161 6A0S HSE 3.91566
162 1VM6 NAD 3.94737
163 1VI2 NAD 4
164 1KYQ NAD 4.0146
165 2PV7 NAD 4.02685
166 3NJ4 AFX 4.05405
167 3NJ4 NAD 4.05405
168 1V8B NAD 4.05405
169 4XYB NDP 4.05405
170 4EDF UPG 4.05405
171 5E4R NAP 4.05405
172 4KP7 NAP 4.05405
173 4KP7 1UQ 4.05405
174 3OJO NAD 4.05405
175 1O0S NAI 4.05405
176 3RFV NAI 4.11985
177 1NPD NAD 4.16667
178 2DTX BMA 4.16667
179 2AG8 NAP 4.18251
180 1HKU NAD 4.18994
181 1GUZ NAD 4.19355
182 1GV0 NAD 4.19355
183 2QA1 FAD 4.2
184 2ZAT NAP 4.23077
185 4E13 NAD 4.24028
186 4E5N NAD 4.24242
187 2F1K NAP 4.30108
188 5MLR GRQ 4.32432
189 5MLR NAP 4.32432
190 2NPX NAD 4.32432
191 1MV8 NAD 4.32432
192 1MUU NAD 4.32432
193 1DIG L37 4.32432
194 1DIG NAP 4.32432
195 2CDU ADP 4.32432
196 5BSH PRO 4.33213
197 4XDZ NDP 4.37318
198 1UXG NAD 4.53074
199 1UXG FUM 4.53074
200 2II3 CAO 4.58015
201 2YVJ NAI 4.58716
202 1SC6 NAD 4.59459
203 4ZGS NAD 4.59459
204 1RM0 D6P 4.59459
205 5Z21 NAI 4.59459
206 1RM0 NAI 4.59459
207 3UOY NAP 4.59459
208 3UOY FAD 4.59459
209 2GZ3 NAP 4.64481
210 4G5H UD7 4.6832
211 4G5H NAP 4.6832
212 2RH4 EMO 4.69314
213 1QK3 5GP 4.72103
214 1UDB UFG 4.73373
215 1UDB NAD 4.73373
216 4DPL NAP 4.73538
217 2C29 NAP 4.74777
218 2C29 DQH 4.74777
219 6BII NAP 4.8048
220 4ZRN NAD 4.80769
221 4ZRN UPG 4.80769
222 5A96 GTP 4.81928
223 4PLT NAI 4.83384
224 4PLT OXM 4.83384
225 1K7T NAG GAL 4.83871
226 3OND ADN 4.86486
227 3OND NAD 4.86486
228 5AOV NAP 4.86486
229 4XFR CIT 4.86486
230 5NMX NAP 4.86486
231 2RAB NAD 4.86486
232 4UP4 NAG 4.86486
233 4UP4 NDG 4.86486
234 3K5I AIR 4.86486
235 2GMH FAD 4.86486
236 5UR0 NAD 4.87106
237 5NM7 GLY 4.88722
238 4Y9D NAI 4.91803
239 1O5O U5P 4.97738
240 1XG5 NAP 5.01792
241 2BGM NAJ 5.03597
242 4B7X NAP 5.05952
243 4BVA NDP 5.07463
244 4BVA T3 5.07463
245 6F3N NAD 5.13514
246 6F3N ADN 5.13514
247 6F3M NAD 5.13514
248 5JCM NAD 5.13514
249 5JCM ISD 5.13514
250 5JCM FAD 5.13514
251 2C7G FAD 5.13514
252 2C7G ODP 5.13514
253 2Q0L NAP 5.14469
254 1GR0 NAD 5.17711
255 1HYH NAD 5.17799
256 4AML GYU 5.26316
257 4U00 ADP 5.32787
258 1LTH NAD 5.32915
259 5TQZ GLC 5.33333
260 1ZEM NAD 5.34351
261 2AE2 PTO 5.38462
262 2AE2 NAP 5.38462
263 6EL3 NAP 5.40541
264 1N7G NDP 5.40541
265 1N7G GDR 5.40541
266 6D5V FVY 5.40541
267 6D5L FW7 5.40541
268 6D5M FW4 5.40541
269 6D5J FV4 5.40541
270 6D5H FV7 5.40541
271 5DF1 NAP 5.43478
272 5DF1 58X 5.43478
273 2VYN NAD 5.43807
274 1GAD NAD 5.45455
275 5OVK NDP 5.46875
276 5ME4 HP4 5.47445
277 5GZ6 7C3 5.52147
278 5GZ6 NDP 5.52147
279 5K4W THR 5.60748
280 5K4W NAI 5.60748
281 4XDY NAI 5.6213
282 3CTY FAD 5.64263
283 5T2U NAP 5.64516
284 3CGD FAD 5.67568
285 3CGD COA 5.67568
286 3CGD NAD 5.67568
287 4MDH NAD 5.68862
288 5MDH NAD 5.70571
289 4TSK NDP 5.71429
290 1PZG A3D 5.74018
291 3O9Z NAD 5.76923
292 5OCM NAP 5.84192
293 3WMX NAD 5.86592
294 3S5W NAP 5.94595
295 2GSD NAD 5.94595
296 1VKO NAD 5.94595
297 5UAO FAD 5.94595
298 1VBO MAN 6.04027
299 1VBO MAN MAN MAN 6.04027
300 5MIT FAD 6.11621
301 5MIT NAP 6.11621
302 5A1T OXM 6.15836
303 5A1T NAI 6.15836
304 2ZJ1 ARJ 6.21622
305 2ZJ1 NAD 6.21622
306 5M67 3D1 6.21622
307 5M67 NAD 6.21622
308 5M67 ADE 6.21622
309 2DBZ NAP 6.21622
310 5XWV 8H6 6.21622
311 5XWV NDP 6.21622
312 1RM4 NDP 6.23145
313 1RPN NDP 6.26866
314 1J49 NAD 6.30631
315 3LN9 FLC 6.47482
316 2EXX NAP 6.48649
317 1YKJ FAD 6.48649
318 1YKJ PHB 6.48649
319 2VT3 ATP 6.51163
320 2A92 NAI 6.54206
321 2Q1W NAD 6.60661
322 5JE8 NAD 6.62252
323 2B4R NAD 6.66667
324 6BWL NAD 6.70732
325 5JY6 NAD 6.74157
326 2CH5 NAG 6.75676
327 4O0L NDP 6.75676
328 3BF1 PAU 6.82731
329 5XVH NAP 6.86275
330 3WBF NAP 6.88525
331 3WBF API 6.88525
332 3BAZ NAP 6.90691
333 3CIF NAD 6.96379
334 3CIF G3H 6.96379
335 3WQQ IB3 6.96721
336 3WQQ NDP 6.96721
337 1LUA NAP 6.96864
338 5T9F TYR 7.01107
339 5T9F NAP 7.01107
340 5T9E NAP 7.01107
341 1SOW NAD 7.0122
342 2BKA NDP 7.02479
343 3I6I NDP 7.02703
344 5U8U FAD 7.02703
345 2I3G NAP 7.10227
346 1E7S NAP 7.16511
347 3KB6 NAD 7.18563
348 5NUE NAD 7.22892
349 5NUF NAD 7.22892
350 1YJQ NAP 7.26073
351 3HDY GDU 7.2973
352 3HDY FAD 7.2973
353 2JL1 NAP 7.31707
354 5Y1G NAD 7.31707
355 5Y1G AKB 7.31707
356 2HJR APR 7.31707
357 3GGO NAI 7.32484
358 3GGO ENO 7.32484
359 6CI9 NAP 7.33591
360 2BOS GLA GAL GLC NBU 7.35294
361 2BOS GLA GAL GLC 7.35294
362 5IN4 GDP 7.41758
363 5IN4 6CK 7.41758
364 5IN4 NAP 7.41758
365 1Q8O MAN MMA 7.53968
366 2PZM NAD 7.57576
367 2PZM UDP 7.57576
368 2YYY NAP 7.58017
369 2HMT NAI 7.63889
370 2RI1 GLP 7.65957
371 2F5Z FAD 7.8125
372 2AQJ FAD 7.83784
373 2AQJ TRP 7.83784
374 5A04 BGC 7.9646
375 3NGL NAP 7.97101
376 1NVT NAP 8.01394
377 2O4C NAD 8.10811
378 4KQW NAP 8.10811
379 5F5N NAD 8.3045
380 5JWC FAD 8.37838
381 1EBF NAD 8.37989
382 5G4L NDP 8.39161
383 1LSS NAD 8.57143
384 2OG2 MLI 8.6351
385 2WET FAD 8.64865
386 2OOR NAD 8.64865
387 1DLJ UGA 8.70647
388 1DLJ NAI 8.70647
389 3ORF NAD 8.76494
390 3HAD NAD 8.76623
391 2YY7 NAD 8.91892
392 5JCA NDP 8.91892
393 5ODQ FAD 8.91892
394 4XB2 NDP 8.95522
395 4XB2 HSE 8.95522
396 2NU8 COA 9.18919
397 4M00 SUC 9.18919
398 2B5W NAP 9.2437
399 1F06 2NP 9.45946
400 1F06 NDP 9.45946
401 5N2I NAP 9.48276
402 1BW9 NAD 9.55056
403 1BXG NAD 9.55056
404 1C1X NAD 9.57747
405 2ZB3 NDP 9.63173
406 4J36 FAD 9.63855
407 4J36 1HR 9.63855
408 3B1F NAD 9.65517
409 5W3K NDP 9.70588
410 5W3K 9TY 9.70588
411 5OJL TXP 9.73154
412 4CQM NAP 9.83607
413 4UP3 NDP 9.87261
414 2P0D I3P 10.0775
415 2ZB4 5OP 10.084
416 2ZB4 NAP 10.084
417 1WMA AB3 10.1449
418 1WMA NDP 10.1449
419 2HK9 ATR 10.1818
420 2HK9 NAP 10.1818
421 3B9Q MLI 10.2649
422 5Z75 NAD 10.2703
423 1OFS SUC 10.4167
424 4ZVV NAD 10.5422
425 4ZVV GN0 10.5422
426 9LDT NAD 10.5422
427 9LDB NAD 10.5422
428 6AA8 NAD 10.596
429 4MP8 NAD 10.6195
430 4MP8 MLI 10.6195
431 2Q46 NAP 10.6719
432 5OOH NAP 10.6796
433 5OOH 9ZZ 10.6796
434 1LDM NAD 10.9422
435 3WXB NDP 11.1111
436 1EK6 NAI 11.2069
437 1EK6 UPG 11.2069
438 1C3V NDP 11.4286
439 5YAP 8S0 11.5789
440 5YAP NAI 11.5789
441 2PK3 A2R 12.1495
442 1LES GLC FRU 12.1547
443 1JAY NAP 12.2642
444 1WDK NAD 12.3077
445 1TDF NAP 12.3418
446 5EIN NAP 12.963
447 1NYT NAP 14.0221
448 5L4L NAP 14.1447
449 3B6Z CO7 14.3243
450 4EMI NAD 14.8649
451 4PYA 2X3 15.528
452 1MVQ MMA 15.678
453 1JG3 VAL TYR PRO IAS HIS ALA 17.0213
454 3O26 NDP 17.6849
455 1NVM NAD 17.971
456 4TR1 GSH 18.4783
457 2DT5 NAD 18.4834
458 1KOL NAD 19.598
459 2QZZ EMF 20.1258
460 2QZZ NAP 20.1258
461 1PL6 572 22.7528
462 1PL6 NAD 22.7528
463 1KEV NDP 22.792
464 1YKF NAP 23.5795
465 1P0F NAP 24.3243
466 1N9G NAP 24.5946
467 4WAS COO 25
468 4WAS NAP 25
469 5H81 NAP 25.6757
470 2FZW NAD 26.7568
471 5FI3 NAP 27.7311
472 5VKT NAP 27.9006
473 2DM6 IMN 29.1291
474 2DM6 NAP 29.1291
475 1YQD NAP 29.235
476 3TWO NDP 32.973
477 1F8F NAD 35.4054
478 2CDC XYP 37.9781
479 2CDC XYS 37.9781
480 2CDC NAP 37.9781
481 4IDC 1XX 40.0602
482 4IDC NDP 40.0602
483 3JYN NDP 40.9231
484 5DP2 NAP 41.8129
485 3QWB NDP 42.2156
486 3GFB NAD 42.2857
487 5DOZ NDP 42.3077
488 1YB5 NAP 42.735
489 2J8Z NAP 42.9379
490 4Y1B NAP 42.973
491 2DFV NAD 43.2277
492 4A0S NAP 44.0541
493 4RVU NDP 44.2771
Pocket No.: 2; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 4jbi.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ None
2 2V7B BEZ 1.35135
3 3B1J NAD 1.47493
4 3B20 NAD 1.47493
5 4JGP PYR 1.84332
6 1SB8 NAD 2.84091
7 3L9W AMP 2.90557
8 3AY6 BGC 2.97398
9 3AY6 NAI 2.97398
10 4USI AKG 3.24675
11 4AVB CMP 3.3033
12 3IWK NAD 3.51351
13 4DSG FAD 4.05405
14 4DSG UDP 4.05405
15 5U5G NAP 4.40678
16 2BMB PMM 4.59459
17 2XCU C5P 4.59459
18 4X1B MLI 4.86486
19 5J3R GSH 4.92611
20 2F2T 5IQ 4.96894
21 4UHO PLP 5.67568
22 3AI3 SOL 5.70342
23 2JC9 ADN 5.94595
24 3CF6 SP1 6.58683
25 2B4R AES 6.66667
26 1LCF OXL 6.75676
27 1UKG MMA 7.53968
28 2GND MAN 7.53968
29 2PHU MAN MAN 7.53968
30 2GNB MAN 7.53968
31 1Q8V MAN MAN 7.53968
32 5WQP NAP 7.69231
33 1XF1 CIT 7.83784
34 3OID NDP 8.10811
35 1DQN IMU 8.69565
36 4O48 ASP 8.73494
37 1U4L H1S 8.82353
38 3GCM 5GP 24.3902
Pocket No.: 3; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 4jbi.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5FJJ MAN 1.89189
2 1USI PHE 2.02312
3 2VZ6 FEF 3.51438
4 3WV8 ATP 3.66972
5 2VVL FAD 4.05405
6 5Z2L NDP 4.08163
7 3JQ3 ADP 5.7377
8 3CH6 311 5.94406
9 3CH6 NAP 5.94406
10 1Y7P RIP 6.27803
11 1BZL GCG 6.75676
12 1XSE NDP 7.11864
13 5FFF NAP 7.393
14 5A04 NDP 7.9646
15 1ON3 DXX 8.10811
16 3E4O SIN 10.1639
Pocket No.: 4; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 8
This union binding pocket(no: 4) in the query (biounit: 4jbi.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3IT1 TLA 2.04678
2 2CUN 3PG 2.43243
3 4BWL MN9 2.63158
4 2J5V PCA 4.63215
5 5LWY OLB 5.04202
6 3O9Z AKG 5.76923
7 3ITJ CIT 6.21302
8 1W9W BGC BGC BGC GLC BGC BGC 17.6056
Pocket No.: 5; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 30
This union binding pocket(no: 5) in the query (biounit: 4jbi.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4BGB ADP 2.15385
2 4MO4 ACP 2.16216
3 3RWP ABQ 2.2508
4 6BE0 COA 2.31788
5 4M52 FAD 2.7027
6 2DUR MAN MAN 2.7668
7 1T9D P25 3.10192
8 1T9D 1MM 3.10192
9 1T9D PYD 3.10192
10 1T9D FAD 3.10192
11 2INV FRU FRU 3.24324
12 4ITU 1HS 3.34572
13 6C4T NA7 3.51351
14 5EPO NAP 3.81679
15 3X01 AMP 4.07125
16 2XMY CDK 4.69799
17 3GD4 NAD 5.40541
18 4CP8 MLI 5.67568
19 4L8V NAP 6.52819
20 1XHC FAD 6.75676
21 2OBM ADP 7.4928
22 3OID TCL 8.10811
23 1HE1 AF3 8.14815
24 4YKG NAD 8.64865
25 1X7D ORN 9.72973
26 3QV1 NAD 9.7561
27 6A3J NAI 10
28 5FEU NAP 11.6838
29 1H9A NAP 12.4324
30 5L4L 7OX 14.1447
Pocket No.: 6; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 4jbi.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2NW9 FT6 1.96078
2 4ITU NAI 3.34572
3 2RBK VN4 3.83142
4 4B63 NAP 4.59459
5 4GN8 ASO 4.68227
Pocket No.: 7; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 9
This union binding pocket(no: 7) in the query (biounit: 4jbi.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4DDY DN6 2.6616
2 2B6N ALA PRO THR 2.8777
3 6EOM ALA LYS 2.97297
4 1K7U NAG NAG 4.83871
5 5VLQ ANP 6.75676
6 1Q8S MAN MMA 7.53968
7 2B4Q NAP 7.6087
8 1M26 GAL A2G 8.27068
9 5THQ NDP 11.3971
Pocket No.: 8; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 4
This union binding pocket(no: 8) in the query (biounit: 4jbi.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1G6H ADP 3.11284
2 3MMH SME 4.19162
3 3L6C MLI 4.42478
4 1T0S BML 6.97674
Pocket No.: 9; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 15
This union binding pocket(no: 9) in the query (biounit: 4jbi.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3UCL NAP 2.43243
2 3UCL FAD 2.43243
3 3UCL CYH 2.43243
4 4PIV NDP 3.51351
5 1RP0 AHZ 3.52113
6 1E1M NAP 4.05405
7 1E1M FAD 4.05405
8 4XT8 NAP 4.26357
9 4J1Q NDP 5.94595
10 5GUD NDP 6.21622
11 2Q1S NAI 6.48649
12 1MO9 FAD 9.45946
13 1MO9 KPC 9.45946
14 1X7D NAD 9.72973
15 2BRY FAD 12.4324
Pocket No.: 10; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 7
This union binding pocket(no: 10) in the query (biounit: 4jbi.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5OVL NAP 3.33333
2 2Q2V NAD 3.92157
3 3QWI NAP 4.07407
4 3QWI CUE 4.07407
5 3WJO IPE 4.1543
6 2Z48 A2G 8.10811
7 3A4M ADP 8.84615
Pocket No.: 11; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 2
This union binding pocket(no: 11) in the query (biounit: 4jbi.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2UVO NDG 5.26316
2 2UVO NAG 5.26316
Pocket No.: 12; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 3
This union binding pocket(no: 12) in the query (biounit: 4jbi.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3L4S NAD 1.4881
2 1N1G BCP 1.91257
3 1ZK7 FAD 6.21622
Pocket No.: 13; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 1
This union binding pocket(no: 13) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2G5C NAD 9.96441
Pocket No.: 14; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 5
This union binding pocket(no: 15) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1RKX NAD 1.68067
2 4GYS MLI 1.89189
3 2Q1A 2KT 2.73038
4 5TH5 MET 8.36502
5 5XQL C2E 8.59107
Pocket No.: 16; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found with APoc: 8
This union binding pocket(no: 16) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5B4T 3HR 5.38462
2 5B4T NAD 5.38462
3 3LU1 NAD 6.59341
4 5A7Y SAH 6.73077
5 2PHX MAN MAN MAN MAN 7.53968
6 1T36 ORN 7.56757
7 1GPM CIT 7.56757
8 4KJU 1RH 15.1163
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