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 8 families.
1 4JBI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
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 DG1 0.68 1
8 1DG 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 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4jbi.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: 216
This union binding pocket(no: 2) in the query (biounit: 4jbi.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TB4 PEJ 0.02297 0.40279 1.35135
2 3B20 NAD 0.005267 0.40013 1.47493
3 1LDN NAD 0.0009447 0.43455 1.58228
4 1E5Q NDP 0.0003075 0.43091 1.62162
5 1U1I NAD 0.004963 0.40902 1.62162
6 2GCG NDP 0.001483 0.42378 1.81818
7 4JGP PYR 0.0281 0.40762 1.84332
8 2E5V FAD 0.01057 0.40444 1.89189
9 3V1Y NAD 0.001387 0.41536 2.07715
10 1CER NAD 0.002828 0.40408 2.1148
11 4JDR FAD 0.009858 0.40391 2.16216
12 1OMO NAD 0.001337 0.42411 2.17391
13 1EZ4 NAD 0.002196 0.41396 2.20126
14 4R5M 4NO 0.0009171 0.43507 2.43243
15 4R5M NAP 0.0007758 0.43507 2.43243
16 2NAD NAD 0.002722 0.42093 2.43243
17 4RPL 3UC 0.01843 0.40885 2.43243
18 4RPL FAD 0.0238 0.4021 2.43243
19 5UAV NDP 0.0003037 0.46146 2.48447
20 5UAV TFB 0.0003037 0.46146 2.48447
21 5CAE COA 0.0002623 0.45258 2.55591
22 5CAE SIN 0.0004034 0.40823 2.55591
23 1O6Z NAD 0.0001182 0.45867 2.64026
24 1GQ2 NAP 0.0001889 0.45968 2.7027
25 1QMG APX 0.003724 0.4062 2.7027
26 5DN9 NAD 0.002092 0.42318 2.74725
27 2DC1 NAD 0.002103 0.40472 2.9661
28 2WPF WPF 0.04053 0.40378 2.97297
29 2WPF FAD 0.03972 0.40378 2.97297
30 5KKA 6V0 0.001466 0.42817 3.20513
31 4OOE NDP 0.003152 0.40224 3.24324
32 3CMC NAD 0.008468 0.42339 3.29341
33 4AVB CMP 0.01595 0.40774 3.3033
34 1J0X NAD 0.002442 0.43144 3.31325
35 1RYO OXL 0.006691 0.42516 3.36391
36 4YCA NDP 0.0006716 0.42738 3.40136
37 4J7U NAP 0.009135 0.40624 3.47222
38 4J7U YTZ 0.009135 0.40624 3.47222
39 4XZ3 COA 0.003702 0.40928 3.47826
40 3VPH OXM 0.00116 0.43619 3.54839
41 3VPH NAD 0.002137 0.4228 3.54839
42 2CVQ NDP 0.0007841 0.4156 3.66972
43 1YS4 NAP 0.001989 0.40333 3.67232
44 4TQG NDP 0.004298 0.40522 3.71517
45 1FWV SGA MAG FUC 0.03096 0.40876 3.73134
46 3C1O NAP 0.002575 0.40613 3.73832
47 3A06 FOM 0.002908 0.4209 3.78378
48 3A06 NDP 0.002684 0.41999 3.78378
49 3ICT ADP 0.009472 0.41877 3.78378
50 5MSO NAP 0.003525 0.40579 3.78378
51 1I36 NAP 0.004596 0.40845 3.78788
52 1ZMD FAD 0.01329 0.40022 3.79747
53 1WP4 NDP 0.00245 0.41357 3.80623
54 3ABI NAD 0.0001337 0.46734 3.83562
55 1CF2 NAP 0.003144 0.40777 3.85757
56 4J4H 1J1 0.00007604 0.49861 3.861
57 4J4H NAI 0.00007604 0.49861 3.861
58 4JK3 NAD 0.00002128 0.4853 3.861
59 5AYV KPL 0.008516 0.40049 3.8835
60 1VM6 NAD 0.001701 0.41679 3.94737
61 1VI2 NAD 0.002094 0.40377 4
62 1KYQ NAD 0.003608 0.42675 4.0146
63 2PV7 NAD 0.0004351 0.42924 4.02685
64 3NJ4 NAD 0.001755 0.47499 4.05405
65 3NJ4 AFX 0.001755 0.47499 4.05405
66 1V8B NAD 0.0002233 0.46698 4.05405
67 5E4R NAP 0.0007204 0.43636 4.05405
68 4EDF UPG 0.003246 0.42986 4.05405
69 4KP7 NAP 0.004066 0.42567 4.05405
70 4KP7 1UQ 0.00337 0.42552 4.05405
71 3OJO NAD 0.003008 0.41298 4.05405
72 1NPD NAD 0.002816 0.41109 4.16667
73 1GUZ NAD 0.0003325 0.42992 4.19355
74 4E5N NAD 0.0004514 0.44753 4.24242
75 2F1K NAP 0.002038 0.41526 4.30108
76 1DIG L37 0.006083 0.40421 4.32432
77 1DIG NAP 0.005682 0.40421 4.32432
78 1MV8 NAD 0.003133 0.40182 4.32432
79 1MUU NAD 0.004169 0.40139 4.32432
80 4XDZ NDP 0.0006165 0.43421 4.37318
81 5U5G NAP 0.005185 0.40194 4.40678
82 1SC6 NAD 0.001376 0.4293 4.59459
83 4ZGS NAD 0.001458 0.41695 4.59459
84 2GZ3 NAP 0.0002546 0.47822 4.64481
85 4DPL NAP 0.00006014 0.45039 4.73538
86 2C29 NAP 0.0008104 0.41387 4.74777
87 1K7T NAG GAL 0.01716 0.40813 4.83871
88 3OND ADN 0.0004099 0.46837 4.86486
89 3OND NAD 0.0004099 0.46837 4.86486
90 4XFR CIT 0.03603 0.40284 4.86486
91 4B7X NAP 0.000002539 0.54224 5.05952
92 4BVA NDP 0.0008326 0.40846 5.07463
93 5JCM NAD 0.02137 0.40479 5.13514
94 5JCM ISD 0.02705 0.4002 5.13514
95 5JCM FAD 0.02625 0.4002 5.13514
96 2Q0L NAP 0.002542 0.43771 5.14469
97 1HYH NAD 0.0008037 0.40652 5.17799
98 1ZEM NAD 0.001006 0.42042 5.34351
99 2VYN NAD 0.0006204 0.4193 5.43807
100 5GZ6 NDP 0.0001128 0.48024 5.52147
101 5GZ6 7C3 0.0001738 0.46376 5.52147
102 4XDY NAI 0.0006528 0.42786 5.6213
103 3CGD NAD 0.0203 0.41181 5.67568
104 3CGD FAD 0.0203 0.41181 5.67568
105 3CGD COA 0.0203 0.41181 5.67568
106 4UHO PLP 0.02362 0.41111 5.67568
107 4MDH NAD 0.003262 0.4086 5.68862
108 5MDH NAD 0.002371 0.40194 5.70571
109 1PZG A3D 0.0008254 0.44473 5.74018
110 3S5W NAP 0.00625 0.42346 5.94595
111 5M67 NAD 0.0005417 0.46414 6.21622
112 5M67 3D1 0.0005588 0.46356 6.21622
113 5M67 ADE 0.0005834 0.46276 6.21622
114 2DBZ NAP 0.0003778 0.42718 6.21622
115 1J49 NAD 0.000928 0.41305 6.30631
116 2VT3 ATP 0.01692 0.40649 6.51163
117 2A92 NAI 0.001021 0.43456 6.54206
118 5JE8 NAD 0.003901 0.40253 6.62252
119 2B4R NAD 0.0009824 0.43386 6.66667
120 2B4R AES 0.004703 0.40499 6.66667
121 2CH5 NAG 0.0138 0.4108 6.75676
122 3CIF NAD 0.0008367 0.43375 6.96379
123 3CIF G3H 0.008269 0.40102 6.96379
124 3WQQ IB3 0.005015 0.4163 6.96721
125 3WQQ NDP 0.005015 0.4163 6.96721
126 1LUA NAP 0.00009067 0.48428 6.96864
127 5T9F TYR 0.00122 0.4377 7.01107
128 5T9F NAP 0.001576 0.43191 7.01107
129 5T9E NAP 0.001839 0.41703 7.01107
130 3I6I NDP 0.0005822 0.45222 7.02703
131 2I3G NAP 0.0002487 0.42332 7.10227
132 3KB6 NAD 0.0009275 0.41853 7.18563
133 1YJQ NAP 0.001362 0.43079 7.26073
134 3GGO ENO 0.0004915 0.45875 7.32484
135 3GGO NAI 0.0004915 0.45875 7.32484
136 2BOS GLA GAL GLC 0.004367 0.45365 7.35294
137 2BOS GLA GAL GLC NBU 0.004277 0.45354 7.35294
138 5IN4 NAP 0.04477 0.41756 7.41758
139 5IN4 GDP 0.04316 0.41756 7.41758
140 5IN4 6CK 0.04462 0.41737 7.41758
141 1UKG MMA 0.02255 0.41697 7.53968
142 2GND MAN 0.02984 0.4097 7.53968
143 2PHU MAN MAN 0.03436 0.40629 7.53968
144 2GNB MAN 0.04851 0.40389 7.53968
145 2PZM NAD 0.01317 0.40039 7.57576
146 2PZM UDP 0.01317 0.40039 7.57576
147 2F5Z FAD 0.01223 0.40176 7.8125
148 3NGL NAP 0.004084 0.4138 7.97101
149 1NVT NAP 0.000945 0.43018 8.01394
150 2O4C NAD 0.0002206 0.46012 8.10811
151 4KQW NAP 0.0008821 0.43981 8.10811
152 3OID NDP 0.007273 0.40104 8.10811
153 5F5N NAD 0.00227 0.407 8.3045
154 1EBF NAD 0.0001709 0.45236 8.37989
155 2WET FAD 0.008507 0.40661 8.64865
156 3HAD NAD 0.008559 0.41261 8.76623
157 1U4L H1S 0.01264 0.42539 8.82353
158 2YY7 NAD 0.005258 0.40433 8.91892
159 5JCA NDP 0.02212 0.40231 8.91892
160 4XB2 HSE 0.0007257 0.44059 8.95522
161 4XB2 NDP 0.0003734 0.43518 8.95522
162 4K28 NAD 0.002049 0.41359 9.29368
163 1F06 NDP 0.0000429 0.49364 9.45946
164 1F06 2NP 0.0000429 0.49364 9.45946
165 5N2I NAP 0.0002579 0.43189 9.48276
166 1BXG NAD 0.004899 0.40011 9.55056
167 1C1X NAD 0.004175 0.40287 9.57747
168 2ZB3 NDP 0.000005349 0.4956 9.63173
169 2P0D I3P 0.03173 0.40922 10.0775
170 2ZB4 NAP 0.000005555 0.45352 10.084
171 2ZB4 5OP 0.000006037 0.44805 10.084
172 2HK9 ATR 0.00786 0.42693 10.1818
173 2HK9 NAP 0.002805 0.4082 10.1818
174 1GET NAP 0.01687 0.41116 10.8108
175 1GET FAD 0.0199 0.40678 10.8108
176 1LES GLC FRU 0.0312 0.40274 12.1547
177 1JAY NAP 0.00003007 0.47284 12.2642
178 1WDK NAD 0.001163 0.42992 12.3077
179 1NYT NAP 0.0009139 0.42745 14.0221
180 5L4L NAP 0.002046 0.41003 14.1447
181 4EMI NAD 0.01466 0.40961 14.8649
182 2XQQ SAC ARG GLY THR GLN THR GLU 0.009087 0.402 15.7303
183 1NVM NAD 0.003399 0.41202 17.971
184 2DT5 NAD 0.0003491 0.42909 18.4834
185 2QZZ EMF 0.001341 0.43713 20.1258
186 2QZZ NAP 0.001259 0.43713 20.1258
187 1PL6 572 0.0002727 0.45788 22.7528
188 1PL6 NAD 0.00009347 0.45066 22.7528
189 1KEV NDP 0.000248 0.46241 22.792
190 1YKF NAP 0.0005121 0.41777 23.5795
191 1P0F NAP 0.00000474 0.52943 24.3243
192 3GCM 5GP 0.04905 0.41814 24.3902
193 1N9G NAP 0.000009021 0.50668 24.5946
194 4WAS NAP 0.00003344 0.50105 25
195 4WAS COO 0.00006282 0.48974 25
196 5H81 NAP 0.000002959 0.54181 25.6757
197 2FZW NAD 0.00002407 0.51636 26.7568
198 5FI3 NAP 0.0000017 0.5068 27.7311
199 5VKT NAP 0.00001646 0.4725 27.9006
200 2DM6 IMN 0.000002705 0.55083 29.1291
201 2DM6 NAP 0.000007464 0.53097 29.1291
202 1YQD NAP 0.000006797 0.52478 29.235
203 3TWO NDP 0.000002513 0.54585 32.973
204 2CDC XYP 0.00006183 0.51766 37.9781
205 2CDC NAP 0.0001144 0.50579 37.9781
206 2CDC XYS 0.0001144 0.50579 37.9781
207 4IDC NDP 0.00001339 0.51275 40.0602
208 4IDC 1XX 0.00001339 0.51275 40.0602
209 5DP2 NAP 0.00004592 0.48253 41.8129
210 3QWB NDP 0.00004369 0.45261 42.2156
211 3GFB NAD 0.0002711 0.43841 42.2857
212 5DOZ NDP 0.000007978 0.46514 42.3077
213 1YB5 NAP 0.000001752 0.48104 42.735
214 2DFV NAD 0.0000483 0.48165 43.2277
215 4A0S NAP 0.000000004036 0.5873 44.0541
216 4RVU NDP 0.000005575 0.4641 44.2771
Pocket No.: 3; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4jbi.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4jbi.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4jbi.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4jbi.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: 18
This union binding pocket(no: 7) in the query (biounit: 4jbi.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.02594 0.41741 None
2 5FJJ MAN 0.02531 0.42448 1.89189
3 4BGB ADP 0.0208 0.40582 2.15385
4 4D3F NAP 0.002557 0.40056 2.25806
5 5L4S NAP 0.009384 0.40088 2.83019
6 5L4S 6KX 0.009384 0.40088 2.83019
7 2B6N ALA PRO THR 0.04049 0.41061 2.8777
8 2INV FRU FRU 0.0238 0.41277 3.24324
9 1AE1 NAP 0.00721 0.40119 3.663
10 1K7U NAG NAG 0.01185 0.40244 4.83871
11 5T2U NAP 0.007665 0.4001 5.64516
12 5U8U FAD 0.02219 0.40407 7.02703
13 1Q8S MAN MMA 0.03877 0.40252 7.53968
14 2B4Q NAP 0.005872 0.4011 7.6087
15 1HE1 AF3 0.02781 0.40736 8.14815
16 3B1F NAD 0.01605 0.40003 9.65517
17 5THQ NDP 0.005614 0.40189 11.3971
18 2PK3 A2R 0.007893 0.40467 12.1495
Pocket No.: 8; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4jbi.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4jbi.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: 11
This union binding pocket(no: 10) in the query (biounit: 4jbi.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GLL NAD 0.006436 0.40201 2.07715
2 2DUR MAN MAN 0.01641 0.41218 2.7668
3 5EPO NAP 0.005437 0.40245 3.81679
4 3WJO IPE 0.02193 0.41126 4.1543
5 3MMH SME 0.01882 0.408 4.19162
6 3CH6 311 0.01442 0.41058 5.94406
7 3CH6 NAP 0.01442 0.41058 5.94406
8 4L8V NAP 0.005585 0.40198 6.52819
9 1XSE NDP 0.008842 0.40496 7.11864
10 2HJR APR 0.002531 0.40311 7.31707
11 1LSS NAD 0.0064 0.40546 8.57143
Pocket No.: 11; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4jbi.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4jbi.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: 9
This union binding pocket(no: 13) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1USI PHE 0.03811 0.40038 2.02312
2 1P4V GLY 0.03247 0.40439 2.37288
3 3X01 AMP 0.03235 0.40463 4.07125
4 5ITV NAI 0.005843 0.40391 4.70588
5 5UAO FAD 0.01168 0.40236 5.94595
6 3WBF API 0.02942 0.40355 6.88525
7 3WBF NAP 0.02479 0.40237 6.88525
8 4M00 SUC 0.01064 0.42922 9.18919
9 1OFS SUC 0.03562 0.4037 10.4167
Pocket No.: 14; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4JBI; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4jbi.bio4) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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