Receptor
PDB id Resolution Class Description Source Keywords
1YKF 2.5 Å EC: 1.1.1.2 NADP-DEPENDENT ALCOHOL DEHYDROGENASE FROM THERMOANAEROBIUM BROCKII THERMOANAEROBACTER BROCKII OXIDOREDUCTASE
Ref.: NADP-DEPENDENT BACTERIAL ALCOHOL DEHYDROGENASES: CRYSTAL STRUCTURE, COFACTOR-BINDING AND COFACTOR SPECIFICITY OF THE ADHS OF CLOSTRIDIUM BEIJERINCKII AND THERMOANAEROBACTER BROCKII. J.MOL.BIOL. V. 278 967 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:353;
B:353;
C:353;
D:353;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
ZN A:354;
B:354;
C:354;
D:354;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YKF 2.5 Å EC: 1.1.1.2 NADP-DEPENDENT ALCOHOL DEHYDROGENASE FROM THERMOANAEROBIUM BROCKII THERMOANAEROBACTER BROCKII OXIDOREDUCTASE
Ref.: NADP-DEPENDENT BACTERIAL ALCOHOL DEHYDROGENASES: CRYSTAL STRUCTURE, COFACTOR-BINDING AND COFACTOR SPECIFICITY OF THE ADHS OF CLOSTRIDIUM BEIJERINCKII AND THERMOANAEROBACTER BROCKII. J.MOL.BIOL. V. 278 967 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1YKF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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 2 families.
1 1YKF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1KEV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YKF; Ligand: NAP; Similar sites found: 456
This union binding pocket(no: 1) in the query (biounit: 1ykf.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DSS NAD 0.0000661 0.44889 0.900901
2 3ZNN 4WL 0.006112 0.41439 1.44092
3 3ZNN FAD 0.006112 0.41439 1.44092
4 1GUZ NAD 0.0001094 0.45272 1.6129
5 1O6Z NAD 0.0002211 0.42793 1.65016
6 2GSD NAD 0.00008169 0.46869 1.70455
7 1UWK NAD 0.00141 0.43189 1.70455
8 1UWK URO 0.00141 0.43189 1.70455
9 2RGH FAD 0.001354 0.4275 1.70455
10 4D04 NAP 0.005682 0.41917 1.70455
11 4D04 FAD 0.005682 0.41917 1.70455
12 1RYI FAD 0.002812 0.41606 1.70455
13 1CER NAD 0.0000995 0.46864 1.81269
14 4MUQ LY0 0.02295 0.4088 1.96078
15 4MUQ 2D8 0.02338 0.40473 1.96078
16 1C1X NAD 0.000008965 0.51003 1.98864
17 1BW9 NAD 0.0000561 0.49564 1.98864
18 1BXG NAD 0.000008777 0.48536 1.98864
19 2WPF FAD 0.001398 0.46016 1.98864
20 2WPF WPF 0.001581 0.45931 1.98864
21 4M52 FAD 0.0005669 0.44455 1.98864
22 4J56 FAD 0.001794 0.42675 1.98864
23 2R4J 13P 0.002852 0.42486 1.98864
24 4OPC FDA 0.01285 0.41896 1.98864
25 4OPC PGT 0.01695 0.41654 1.98864
26 5EOW FAD 0.001942 0.4145 1.98864
27 2YN4 39J 0.01939 0.42232 2.11864
28 1TDF NAP 0.007448 0.41861 2.21519
29 1TDF FAD 0.003804 0.41556 2.21519
30 1HYH NAD 0.00001471 0.48276 2.26537
31 4ZGS NAD 0.00002607 0.4571 2.27273
32 2IXB NAD 0.0004551 0.42832 2.27273
33 1LVL NAD 0.003361 0.4232 2.27273
34 4MOP 2H5 0.006366 0.41067 2.27273
35 3M89 GSP 0.0234 0.40471 2.27273
36 2IXB A2G 0.000318 0.40421 2.27273
37 1E1M FAD 0.01027 0.40295 2.27273
38 3WGT FAD 0.007001 0.40578 2.30548
39 3WGT QSC 0.008647 0.4029 2.30548
40 2DT5 NAD 0.00002695 0.483 2.36967
41 2GCG NDP 0.000183 0.44454 2.42424
42 1EDO NAP 0.00293 0.40516 2.45902
43 1A5Z NAD 0.00002738 0.5089 2.50784
44 5BSH PRO 0.0009436 0.42387 2.52708
45 1KYQ NAD 0.0002128 0.40127 2.55474
46 5U8U FAD 0.0004356 0.46704 2.55682
47 3LAD FAD 0.0003302 0.45383 2.55682
48 3GD4 NAD 0.001614 0.44854 2.55682
49 3GD4 FAD 0.001206 0.44414 2.55682
50 1MO9 KPC 0.003628 0.43645 2.55682
51 3KLJ FAD 0.0005224 0.43501 2.55682
52 1MO9 FAD 0.003882 0.43464 2.55682
53 4BV6 FAD 0.001333 0.42883 2.55682
54 2QRK AMP 0.002691 0.41366 2.55682
55 4AP3 FAD 0.008515 0.41053 2.55682
56 4AP3 NAP 0.008515 0.41053 2.55682
57 2DKH FAD 0.004022 0.40116 2.55682
58 5JE8 NAD 0.00002402 0.49738 2.64901
59 1I0Z NAI 0.00003695 0.47399 2.7027
60 2AHR NAP 0.001611 0.40829 2.7027
61 9LDT NAD 0.00001262 0.49332 2.71084
62 9LDB NAD 0.00001285 0.49303 2.71084
63 3P7G MAN 0.03266 0.41623 2.73973
64 2NU8 COA 0.001306 0.40593 2.77778
65 1V8B NAD 0.000009209 0.50673 2.84091
66 1HKU NAD 0.00003604 0.46879 2.84091
67 1GQ2 NAP 0.0001298 0.45688 2.84091
68 1FEC FAD 0.0006372 0.44665 2.84091
69 2YVF FAD 0.001402 0.44297 2.84091
70 2YVF NAD 0.001461 0.44297 2.84091
71 1SC6 NAD 0.0005354 0.43322 2.84091
72 5MZI FYK 0.00334 0.42737 2.84091
73 1XHC FAD 0.001087 0.42665 2.84091
74 5MZI FAD 0.003402 0.42633 2.84091
75 3T31 FAD 0.003466 0.423 2.84091
76 3T31 DCQ 0.003774 0.423 2.84091
77 3E1T FAD 0.002235 0.42199 2.84091
78 2AQJ TRP 0.004784 0.41949 2.84091
79 2AQJ FAD 0.004995 0.41943 2.84091
80 3L9W AMP 0.001236 0.41804 2.84091
81 1GQ2 OXL 0.03548 0.40811 2.84091
82 5LD5 NAD 0.0007893 0.40388 2.84091
83 2E5V FAD 0.006739 0.40295 2.84091
84 2GVC FAD 0.004126 0.40074 2.84091
85 1VQW FAD 0.004136 0.4007 2.84091
86 5AYV KPL 0.00001382 0.49839 2.91262
87 5AYV NAP 0.00001247 0.46457 2.91262
88 2YYY NAP 0.0008694 0.41872 2.91545
89 1P77 ATR 0.0006435 0.49942 2.94118
90 1NYT NAP 0.001528 0.42469 2.95203
91 1RM4 NDP 0.0001013 0.44975 2.96736
92 4BVA NDP 0.0001328 0.45468 2.98507
93 4BVA T3 0.0003897 0.44637 2.98507
94 4MDH NAD 0.0006902 0.43217 2.99401
95 5MDH NAD 0.001103 0.41302 3.003
96 4E5N NAD 0.00001223 0.49384 3.0303
97 1SAY PYR 0.00002353 0.48796 3.04709
98 3B1F NAD 0.00001133 0.45845 3.10345
99 1OMO NAD 0.00003189 0.45425 3.10559
100 3OJO NAD 0.00003421 0.44824 3.125
101 1YKJ FAD 0.001863 0.43931 3.125
102 1YKJ PHB 0.001863 0.43931 3.125
103 4XYB NDP 0.0001453 0.43265 3.125
104 5J60 FAD 0.00122 0.42928 3.125
105 5MQ6 NDP 0.002143 0.42498 3.125
106 1NPD NAD 0.001827 0.42466 3.125
107 4R5M NAP 0.001138 0.4208 3.125
108 1I2B NAD 0.005687 0.4142 3.125
109 4YRY NAD 0.005826 0.41301 3.125
110 4R5M 4NO 0.001257 0.41201 3.125
111 1PN0 FAD 0.005176 0.41106 3.125
112 1PN0 IPH 0.005431 0.41106 3.125
113 4YRY FAD 0.004252 0.40995 3.125
114 3CTY FAD 0.003015 0.41778 3.1348
115 5L4S 6KX 0.00398 0.40596 3.14465
116 5L4S NAP 0.00398 0.40596 3.14465
117 2Q0L NAP 0.001779 0.45091 3.21543
118 4D3F NAP 0.000009381 0.46291 3.22581
119 4MP8 NAD 0.00004094 0.4831 3.24484
120 4MP8 MLI 0.009286 0.41894 3.24484
121 4L8V NAP 0.001422 0.41434 3.2641
122 1DIG NAP 0.002915 0.40524 3.26797
123 1DIG L37 0.003145 0.40524 3.26797
124 3CMC NAD 0.0001994 0.48197 3.29341
125 3SQP FAD 0.003576 0.46134 3.40909
126 4J36 1HR 0.0008586 0.43847 3.40909
127 4J36 FAD 0.000876 0.42645 3.40909
128 3A06 FOM 0.001165 0.42549 3.40909
129 3A06 NDP 0.001459 0.41927 3.40909
130 1E5Q NDP 0.00127 0.41898 3.40909
131 1PS9 FAD 0.004128 0.40948 3.40909
132 2V3A FAD 0.004144 0.40635 3.40909
133 1PJS NAD 0.00008716 0.40575 3.40909
134 3GMB FAD 0.003867 0.40302 3.40909
135 2O4C NAD 0.00004284 0.47326 3.42105
136 2EV9 SKM 0.000566 0.4323 3.42205
137 2EV9 NAP 0.000566 0.4323 3.42205
138 1LUA NAP 0.0000171 0.45215 3.48432
139 1NVT NAP 0.0005379 0.41255 3.48432
140 4NTD FAD 0.003744 0.40807 3.52941
141 4K5S FAD 0.000674 0.41238 3.54478
142 3QV1 NAD 0.00005169 0.45195 3.56083
143 3WBF NAP 0.00003233 0.47997 3.60656
144 3WBF API 0.0000533 0.45218 3.60656
145 3LZW FAD 0.0002412 0.45448 3.61446
146 3LZW NAP 0.0006762 0.45448 3.61446
147 4DPL NAP 0.0008542 0.42267 3.62117
148 5T9E NAP 0.001506 0.40464 3.69004
149 2VHW NAI 0.000007682 0.50977 3.69318
150 3ABI NAD 0.000009386 0.49639 3.69318
151 1O94 ADP 0.0004737 0.44872 3.69318
152 5BVA FAD 0.001235 0.43321 3.69318
153 1WDK NAD 0.000124 0.43009 3.69318
154 5JCM NAD 0.005632 0.42064 3.69318
155 5JCM FAD 0.005433 0.42064 3.69318
156 5JCM ISD 0.005632 0.42064 3.69318
157 5UAO FAD 0.002446 0.41528 3.69318
158 1D4D FAD 0.00377 0.41298 3.69318
159 2WET FAD 0.003388 0.41287 3.69318
160 1DJN ADP 0.0005482 0.40625 3.69318
161 4CNK FAD 0.004903 0.4035 3.69318
162 3FG2 FAD 0.003816 0.40204 3.69318
163 3F8D FAD 0.009935 0.41331 3.71517
164 1WP4 NDP 0.00008328 0.46791 3.80623
165 2CVZ NDP 0.0003822 0.42592 3.80623
166 5KKA 6V0 0.0001403 0.45531 3.84615
167 5JCA NDP 0.008108 0.41208 3.87324
168 5JCA FAD 0.003787 0.41194 3.87324
169 2CVQ NDP 0.0002963 0.43711 3.97554
170 4KP7 NAP 0.0007527 0.44471 3.97727
171 4KP7 1UQ 0.000736 0.44112 3.97727
172 2RAB NAD 0.002101 0.4392 3.97727
173 3WQQ IB3 0.0007511 0.43865 3.97727
174 2RAB FAD 0.0009847 0.43712 3.97727
175 2HQM FAD 0.0009798 0.43516 3.97727
176 5BUK FAD 0.001294 0.4324 3.97727
177 1K3T BRZ 0.0008462 0.42702 3.97727
178 1GET NAP 0.01251 0.40791 3.97727
179 1TUU AMP 0.0285 0.4078 3.97727
180 1GET FAD 0.01406 0.4046 3.97727
181 2V6G NAP 0.003651 0.40024 3.97727
182 5T9F NAP 0.0004461 0.44161 4.05904
183 5T9F TYR 0.0005598 0.43903 4.05904
184 1C3V NDP 0.0002015 0.44145 4.08163
185 4JNA FAD 0.006237 0.40336 4.11765
186 3WV8 ATP 0.0001237 0.41567 4.12844
187 4NTC FAD 0.003697 0.41137 4.1791
188 1GAD NAD 0.0001879 0.43644 4.24242
189 2I3G NAP 0.00007512 0.45697 4.26136
190 1EBF NAD 0.00004106 0.4523 4.26136
191 2AWN ADP 0.02076 0.423 4.26136
192 5E4R NAP 0.000888 0.41883 4.26136
193 3QVP FAD 0.003673 0.41342 4.26136
194 2XVF FAD 0.00304 0.4105 4.26136
195 1F8G NAD 0.008002 0.40385 4.26136
196 1SOW NAD 0.00008707 0.46318 4.26829
197 4KQW NAP 0.00138 0.42019 4.28571
198 5N2I NAP 0.0002635 0.41249 4.31034
199 4IF4 BEF 0.004391 0.45331 4.32692
200 4XDZ NDP 0.001191 0.40313 4.37318
201 1CF2 NAP 0.00006596 0.45372 4.45104
202 4KOA NDP 0.003181 0.43504 4.5045
203 1PZG A3D 0.00009776 0.4271 4.53172
204 2CDC XYP 0.000007122 0.54155 4.54545
205 2CDC NAP 0.000009963 0.53547 4.54545
206 2CDC XYS 0.000009963 0.53547 4.54545
207 4TXI FAD 0.0006446 0.43015 4.54545
208 2BRY FAD 0.001018 0.42395 4.54545
209 2XVE FAD 0.00646 0.4155 4.54545
210 1B8U OAA 0.002017 0.41133 4.54545
211 1B8U NAD 0.0003889 0.40778 4.54545
212 1REO FAD 0.005464 0.40269 4.54545
213 4TSK NDP 0.001128 0.40829 4.57143
214 1OC2 NAD 0.006745 0.4119 4.5977
215 1OC2 TDX 0.006745 0.4119 4.5977
216 3WMX THR 0.0225 0.40568 4.7486
217 3BAZ NAP 0.00001703 0.5034 4.8048
218 1VDC FAD 0.008376 0.40264 4.8048
219 1J0X NAD 0.0001413 0.46955 4.81928
220 5FJN FAD 0.001838 0.42436 4.82456
221 5FJN BE2 0.002177 0.42436 4.82456
222 4XQC 13D 0.0002314 0.46214 4.82955
223 4XQC NAD 0.0002666 0.45861 4.82955
224 3UCL NAP 0.004726 0.42573 4.82955
225 3LXD FAD 0.001216 0.42355 4.82955
226 4BJZ P3A 0.006121 0.42221 4.82955
227 3ETG NDP 0.004225 0.41871 4.82955
228 3ETG GLU 0.004316 0.41833 4.82955
229 3UCL CYH 0.007493 0.41545 4.82955
230 3UCL FAD 0.007493 0.41545 4.82955
231 3ETG GTP 0.004962 0.40916 4.82955
232 4K28 NAD 0.00005463 0.483 4.83271
233 1GV0 NAD 0.00009623 0.45835 4.83871
234 3H9E NAD 0.0002362 0.43295 4.91329
235 4BWL MN9 0.02034 0.42187 4.93421
236 3Q3C NAD 0.0004134 0.41759 5.01672
237 2NAD NAD 0.00008513 0.468 5.11364
238 1J5P NAD 0.0006161 0.43409 5.11364
239 1GR0 NAD 0.0008072 0.42912 5.11364
240 2D2I NAP 0.0002091 0.42668 5.11364
241 1Q9I TEO 0.008057 0.40945 5.11364
242 4OKD GLC GLC GLC 0.04617 0.40109 5.11364
243 1V6A TRE 0.01885 0.42286 5.12048
244 1WPQ NAD 0.0001864 0.4243 5.15759
245 1LDM NAD 0.00004961 0.46918 5.16717
246 2CUL FAD 0.002571 0.41103 5.17241
247 5GZ6 7C3 0.0006194 0.40695 5.21472
248 1I36 NAP 0.0002182 0.42143 5.30303
249 3B1J NAD 0.00008096 0.46118 5.30973
250 3B20 NAD 0.0000475 0.44965 5.30973
251 5GT9 NAP 0.001057 0.42062 5.32319
252 2G5C NAD 0.001576 0.41266 5.33808
253 1R6D NAD 0.007395 0.40878 5.34125
254 1R6D DAU 0.007084 0.40878 5.34125
255 3KB6 NAD 0.00002767 0.47055 5.38922
256 1V59 FAD 0.000242 0.46243 5.39773
257 1BZL FAD 0.001945 0.4544 5.39773
258 5EZ7 FAD 0.0008966 0.43341 5.39773
259 5HSA FAS 0.002758 0.41639 5.39773
260 5U5G NAP 0.00002885 0.47411 5.42373
261 4YCA NDP 0.0001938 0.45717 5.44218
262 2JAC GSH 0.04849 0.40077 5.45455
263 2HJR APR 0.00002914 0.50298 5.4878
264 2GND MAN 0.04901 0.40204 5.55556
265 5UAV TFB 0.0000108 0.50405 5.59006
266 5UAV NDP 0.0000108 0.50405 5.59006
267 1T26 NAI 0.00007838 0.47851 5.59006
268 3ITJ FAD 0.003484 0.41884 5.6213
269 3V1Y NAD 0.000066 0.4757 5.63798
270 3L4S 3PG 0.0003514 0.44159 5.65476
271 3L4S NAD 0.0003224 0.44159 5.65476
272 3UOY NAP 0.005655 0.42183 5.68182
273 3UOY FAD 0.005655 0.42183 5.68182
274 1U1I NAD 0.002157 0.41275 5.68182
275 4USQ FAD 0.003153 0.40643 5.68182
276 5JY6 NAD 0.007675 0.4058 5.68182
277 1NVM NAD 0.00003096 0.47115 5.76923
278 2Q46 NAP 0.001893 0.40648 5.92885
279 4WAS NAP 0.00112 0.42615 5.96591
280 4WAS COO 0.00165 0.41964 5.96591
281 1N9G NAP 0.0006215 0.41476 5.96591
282 4JDR FAD 0.0001775 0.40034 5.96591
283 1EZ4 NAD 0.00000657 0.48812 5.97484
284 4E13 NAD 0.00005336 0.43215 6.00707
285 2GAG FOA 0.001861 0.42707 6.06061
286 2GAG FAD 0.001861 0.42707 6.06061
287 2GAG NAD 0.0017 0.4203 6.06061
288 1HYE NAP 0.0007118 0.40543 6.07029
289 4JK3 NAD 0.000001377 0.51276 6.17761
290 4EDF UPG 0.0006553 0.44713 6.25
291 2RGJ FAD 0.001783 0.41466 6.25
292 5JCJ 6JM 0.03342 0.40813 6.25
293 4CM4 4NR 0.04275 0.40349 6.25
294 2B9W FAD 0.01208 0.4015 6.25
295 1RP0 AHZ 0.001974 0.41168 6.33803
296 4YSX FAD 0.004329 0.40867 6.38298
297 3VPH NAD 0.00001813 0.46769 6.45161
298 3VPH OXM 0.00003722 0.44718 6.45161
299 4A0S NAP 0.00004499 0.47245 6.53409
300 4MIG G3F 0.001799 0.43041 6.53409
301 5I39 FAD 0.001142 0.42817 6.53409
302 1GPE FAD 0.00333 0.41698 6.53409
303 3AYI HCI 0.01072 0.40218 6.53409
304 3AYI FAD 0.01028 0.40218 6.53409
305 2HK9 NAP 0.0007099 0.41632 6.54545
306 1VM6 NAD 0.001036 0.40793 6.57895
307 2QZZ EMF 0.003517 0.40913 6.60377
308 2QZZ NAP 0.003298 0.40913 6.60377
309 2VDF OCT 0.02346 0.42406 6.71937
310 1MUU NAD 0.00007403 0.47768 6.81818
311 1MV8 NAD 0.00006239 0.454 6.81818
312 1H82 GZZ 0.01042 0.40755 6.81818
313 1H82 FAD 0.009914 0.40503 6.81818
314 2AG8 NAP 0.0005144 0.40095 6.84411
315 4XB2 HSE 0.00009013 0.46261 6.86567
316 4XB2 NDP 0.0000462 0.44417 6.86567
317 1LTH NAD 0.00005848 0.44671 6.89655
318 1HDG NAD 0.0006003 0.44105 6.92771
319 1YJQ NAP 0.0002309 0.44854 6.93069
320 3GGO ENO 0.0004882 0.44602 7.00637
321 3GGO NAI 0.0004882 0.44602 7.00637
322 2PV7 NAD 0.0001756 0.4553 7.04698
323 5X20 NAD 0.0006333 0.41329 7.05128
324 1L5Y BEF 0.02321 0.4023 7.09677
325 2F5Z FAD 0.0004031 0.45149 7.10227
326 1ZMD NAI 0.002186 0.41843 7.10227
327 3NJ4 NAD 0.0000506 0.53232 7.12644
328 3NJ4 AFX 0.0000506 0.53232 7.12644
329 2V3B FAD 0.004998 0.40211 7.27273
330 1JNR FAD 0.01361 0.40918 7.33333
331 3CIF NAD 0.00002496 0.47653 7.38636
332 3CIF G3H 0.0001842 0.4551 7.38636
333 2NVK FAD 0.0009123 0.43532 7.38636
334 1TB4 PEJ 0.0004573 0.43289 7.38636
335 4RDH AMP 0.008392 0.41912 7.63889
336 2ZB4 5OP 0.0002465 0.45411 7.67045
337 2ZB4 NAP 0.0002438 0.45304 7.67045
338 1QO8 FAD 0.003152 0.4151 7.67045
339 2C7G FAD 0.007866 0.40916 7.67045
340 2C7G ODP 0.007799 0.40858 7.67045
341 4TM3 FAD 0.01381 0.4061 7.67045
342 2FR1 NDP 0.0017 0.40351 7.67045
343 4J4H NAI 0.00000412 0.53427 7.72201
344 4J4H 1J1 0.00000412 0.53427 7.72201
345 1Z82 NDP 0.0006575 0.43299 7.76119
346 2F1K NAP 0.0001317 0.46382 7.8853
347 2B4R NAD 0.00006378 0.46672 7.95455
348 2B4R AES 0.0001846 0.44771 7.95455
349 2Y6Q FAD 0.0004578 0.4358 7.95455
350 2Y6Q I7T 0.001189 0.4358 7.95455
351 2BH9 NAP 0.00666 0.42386 7.95455
352 3G5S FAD 0.002482 0.41393 7.95455
353 2DC1 NAD 0.0007418 0.41874 8.05085
354 2A92 NAI 0.0001676 0.45238 8.09969
355 1LDN NAD 0.00001651 0.48891 8.22785
356 5JWC FAD 0.004499 0.40166 8.23864
357 3RNM FAD 0.0004356 0.45016 8.62069
358 3CGD NAD 0.01613 0.4076 8.80682
359 3CGD COA 0.01613 0.4076 8.80682
360 3CGD FAD 0.01613 0.4076 8.80682
361 2NU5 NAG 0.01061 0.45508 9.01639
362 2HYR BGC GLC 0.01129 0.45095 9.01639
363 2GUC MAN 0.01574 0.45013 9.01639
364 1UXG NAD 0.00001769 0.49867 9.38511
365 1UXG FUM 0.01655 0.40911 9.38511
366 2VYN NAD 0.00003013 0.47329 9.58084
367 2ZB3 NDP 0.0002076 0.44229 9.65909
368 1F06 2NP 0.002397 0.41099 9.6875
369 1F06 NDP 0.002397 0.41099 9.6875
370 3P13 RIP 0.03302 0.40852 9.72222
371 5KMS NAD 0.001351 0.44211 10.2273
372 1J49 NAD 0.0000571 0.46308 10.5105
373 1U8X NAD 0.003191 0.40898 10.5114
374 1KUJ MMA 0.0178 0.42068 10.5263
375 1X7D ORN 0.00005003 0.47973 10.5714
376 1X7D NAD 0.00006074 0.46204 10.5714
377 4CJX NAP 0.0002312 0.43077 10.6583
378 5ODQ FAD 0.0006275 0.44281 10.7143
379 1N1G BCP 0.0002927 0.44736 10.7955
380 4PLG NAI 0.00006908 0.47429 11.0778
381 4PLG OXM 0.01245 0.41345 11.0778
382 5G3U FDA 0.004231 0.406 11.0795
383 1O0S NAI 0.0001109 0.47874 11.3636
384 1DLJ UGA 0.0001361 0.47658 11.6477
385 1DLJ NAI 0.000138 0.47633 11.6477
386 2ZJ1 ARJ 0.000002666 0.42696 11.6477
387 2ZJ1 NAD 0.000003124 0.42551 11.6477
388 4OOE NDP 0.002522 0.41303 11.6477
389 2YVJ FAD 0.001453 0.42295 11.9266
390 5DN9 NAD 0.00002802 0.48349 11.9318
391 4HSU FAD 0.007756 0.40142 12.0968
392 4GUS FAD 0.007766 0.4014 12.0968
393 4GUT FAD 0.009005 0.40054 12.0968
394 4UP3 FAD 0.002689 0.4158 12.1019
395 2B5W NAP 0.000004443 0.48061 12.2159
396 2DBZ NAP 0.00001905 0.48081 12.2754
397 3OND ADN 0.000003656 0.53759 12.7841
398 4EMI NAD 0.002195 0.43491 12.7841
399 3OND NAD 0.000003656 0.43251 12.7841
400 4EMI FAD 0.001755 0.4209 12.7841
401 4X9M FAD 0.001475 0.42605 13.0682
402 4EMJ FAD 0.001844 0.42116 13.0841
403 4B7X NAP 0.00002607 0.46332 13.3929
404 1DXY NAD 0.0001188 0.44346 13.8138
405 4EIP K2C 0.001659 0.43001 14.7727
406 4EIP FAD 0.001659 0.43001 14.7727
407 5M67 3D1 0.000003796 0.53815 15.3409
408 5M67 NAD 0.000004729 0.5343 15.3409
409 5M67 ADE 0.000005004 0.53332 15.3409
410 1FL2 FAD 0.002122 0.41878 15.8065
411 2J5V PCA 0.04788 0.41867 15.9091
412 2GZ3 NAP 0.0001213 0.47758 16.7614
413 3ULK NDP 0.0004528 0.40749 16.7614
414 4RVU NDP 0.0007377 0.43062 17.4699
415 5VKT NAP 0.0000126 0.49157 22.0994
416 4W6Z 8ID 0.0000009047 0.54567 22.7666
417 3AD8 PYC 0.004849 0.424 23.2323
418 3AD8 FAD 0.004849 0.424 23.2323
419 3AD8 NAD 0.001422 0.4197 23.2323
420 3TWO NDP 0.00000267 0.52587 23.2759
421 4JBI NDP 0.0005121 0.41777 23.5795
422 1YQD NAP 0.000004231 0.49069 24.0437
423 5H81 NAP 0.0000346 0.50457 24.4318
424 3QWB NDP 0.002502 0.4013 24.5509
425 5FI3 NAP 0.00001428 0.48953 25.7703
426 4IDC NDP 0.000008153 0.50395 25.9036
427 4IDC 1XX 0.000008153 0.50395 25.9036
428 1YB5 NAP 0.00001081 0.50091 26.2108
429 5DOZ NDP 0.0003311 0.42565 26.9231
430 3WLE NAD 0.000001086 0.54259 26.9795
431 2J8Z NAP 0.001722 0.40838 27.2727
432 2DM6 NAP 0.0002201 0.41042 27.6276
433 2DM6 IMN 0.0002403 0.40677 27.6276
434 1KOL NAD 0.0000001386 0.57715 30.6818
435 3JV7 NAD 0.00000723 0.50065 30.7246
436 3B6Z CO7 0.001973 0.41169 30.9659
437 5DP2 NAP 0.002083 0.40324 31.2866
438 3JYN NDP 0.0005916 0.43295 31.3846
439 4GKV NAD 0.0000003107 0.55998 31.5476
440 1PL6 572 0.000002767 0.52008 32.9545
441 1PL6 NAD 0.0000005206 0.49762 32.9545
442 1R37 NAD 0.000003447 0.51993 34.0058
443 1LOB MMA 0.02276 0.41888 34.6154
444 1LLU NAD 0.0000002038 0.53071 35.0877
445 1H2B NAJ 0.0000004125 0.52654 35.2273
446 1F8F NAD 0.000006054 0.48527 38.6364
447 1D1T NAD 0.00000006857 0.58107 42.3295
448 2DFV NAD 0.000003171 0.50499 42.3631
449 2JHF NAD 0.000002928 0.59401 42.6136
450 2FZW NAD 0.0000007482 0.55976 42.6136
451 1U3U NAD 0.0000002805 0.57515 43.4659
452 1U3U BNF 0.0000002805 0.57515 43.4659
453 4RQU NAD 0.0000004879 0.53975 43.75
454 3GFB NAD 0.000004237 0.51825 44.2857
455 1E3I CXF 0.0000001123 0.52518 44.6023
456 1CDO NAD 0.0000003343 0.53593 47.1591
Pocket No.: 2; Query (leader) PDB : 1YKF; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ykf.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1YKF; Ligand: NAP; 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: 1ykf.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YKF; Ligand: NAP; 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: 1ykf.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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