Receptor
PDB id Resolution Class Description Source Keywords
5TUK 1.85 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TETRACYCLINE DESTRUCTASE TET(51) UNCULTURED BACTERIUM FAD-BINDING TETRACYCLINE-INACTIVATING OXIDOREDUCTASE ACTIVOXIDOREDUCTASE
Ref.: PLASTICITY, DYNAMICS, AND INHIBITION OF EMERGING TETRACYCLINE RESISTANCE ENZYMES. NAT. CHEM. BIOL. V. 13 730 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:401;
A:401;
B:401;
C:401;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FAD B:402;
A:402;
D:402;
C:402;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TUK 1.85 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TETRACYCLINE DESTRUCTASE TET(51) UNCULTURED BACTERIUM FAD-BINDING TETRACYCLINE-INACTIVATING OXIDOREDUCTASE ACTIVOXIDOREDUCTASE
Ref.: PLASTICITY, DYNAMICS, AND INHIBITION OF EMERGING TETRACYCLINE RESISTANCE ENZYMES. NAT. CHEM. BIOL. V. 13 730 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5TUK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5TUF ic50 = 83.2 uM TDC C22 H22 N2 O7 Cc1c2cccc(....
2 5TUI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5TUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5TUK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5TUF ic50 = 83.2 uM TDC C22 H22 N2 O7 Cc1c2cccc(....
2 5TUI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5TUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5TUK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TUK; Ligand: FAD; Similar sites found: 438
This union binding pocket(no: 1) in the query (biounit: 5tuk.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DT5 NAD 0.0009443 0.41899 0.947867
2 1KEV NDP 0.003008 0.41239 1.4245
3 3JV7 NAD 0.00154 0.4186 1.44928
4 3CGB FAD 0.0000003684 0.48959 1.47059
5 2AQJ FAD 0.006151 0.4485 1.47059
6 1X87 NAD 0.0007292 0.41318 1.47059
7 1J0X NAD 0.0006125 0.45037 1.50602
8 1CER NAD 0.0003314 0.44477 1.51057
9 2O4C NAD 0.002393 0.4125 1.57895
10 1E3I CXF 0.0003745 0.40096 1.59574
11 4RQU NAD 0.0005717 0.43383 1.6
12 2GZ3 NAP 0.003349 0.42466 1.63934
13 5LD5 NAD 0.0001244 0.44132 1.67598
14 1BXK NAD 0.002801 0.40709 1.69014
15 5UAO FAD 0.000001421 0.5508 1.71569
16 3AYI FAD 0.00000777 0.53754 1.96078
17 3AYI HCI 0.000008248 0.53754 1.96078
18 3Q9T FAY 0.01888 0.41079 1.96078
19 2QRK AMP 0.00655 0.40333 2.03046
20 1RYI FAD 0.004115 0.44326 2.09424
21 1RYI GOA 0.01423 0.42088 2.09424
22 4E5N NAD 0.001387 0.42177 2.12121
23 4MO2 FAD 0.00002228 0.50271 2.17391
24 4MO2 FDA 0.00002594 0.49864 2.17391
25 1XHC FAD 0.0000001482 0.50881 2.17984
26 1KYQ NAD 0.0001522 0.49262 2.18978
27 2V6G NAP 0.003631 0.40541 2.1978
28 1KNR FAD 0.0000001138 0.5983 2.20588
29 1DJN ADP 0.0000001864 0.59022 2.20588
30 4BV6 FAD 0.0000006426 0.56936 2.20588
31 2WET FAD 0.0000006729 0.56854 2.20588
32 2CDU FAD 0.000001271 0.5495 2.20588
33 3UCL NAP 0.00002865 0.52664 2.20588
34 3UCL CYH 0.00002686 0.52534 2.20588
35 3UCL FAD 0.00002686 0.52534 2.20588
36 2JB2 PHE 0.00007934 0.48308 2.20588
37 2JB2 FAD 0.00007381 0.48308 2.20588
38 3GD4 NAD 0.0001494 0.47 2.20588
39 2CDU ADP 0.000002939 0.46016 2.20588
40 3GD4 FAD 0.0000002537 0.41699 2.20588
41 1PJS NAD 0.0002903 0.40187 2.20588
42 1K3T BRZ 0.004352 0.40483 2.22841
43 4UP4 NDG 0.03251 0.41601 2.24439
44 3DXY SAM 0.01393 0.41335 2.29358
45 4ZCC FAD 0.000009975 0.40197 2.38095
46 4ZCC NAI 0.000009975 0.40197 2.38095
47 2VHW NAI 0.00006572 0.48107 2.38727
48 2JHF NAD 0.008949 0.44089 2.40642
49 1PZG A3D 0.006577 0.40222 2.41692
50 5EB4 FAD 0.000007096 0.52556 2.45098
51 5VN0 NAI 0.0000208 0.49191 2.45098
52 5VN0 FAD 0.000006509 0.45119 2.45098
53 1V8B NAD 0.0004726 0.44686 2.45098
54 5UAV NDP 0.001067 0.43273 2.48447
55 5UAV TFB 0.001067 0.43273 2.48447
56 1EBF NAD 0.001202 0.41053 2.51397
57 4CNK FAD 0.00000001185 0.63445 2.55754
58 1X7D ORN 0.002492 0.41915 2.57143
59 1X7D NAD 0.002142 0.41161 2.57143
60 1P77 ATR 0.00003609 0.56219 2.57353
61 1GUZ NAD 0.001036 0.42382 2.58065
62 4NTD FAD 0.005467 0.43472 2.64706
63 3B20 NAD 0.0006636 0.41802 2.65487
64 3OND ADN 0.0006314 0.45384 2.66393
65 3OND NAD 0.0006314 0.45384 2.66393
66 4MDH NAD 0.003654 0.4012 2.69461
67 1E1M NAP 0.0000004767 0.58954 2.69608
68 1E1M FAD 0.0000004767 0.58954 2.69608
69 3ICS FAD 0.0000004276 0.57178 2.69608
70 3ICR FAD 0.0000004127 0.57073 2.69608
71 3ICT FAD 0.000001093 0.55377 2.69608
72 5MBX FAD 0.00001165 0.5323 2.69608
73 5MBX SP5 0.00001165 0.5323 2.69608
74 3QVP FAD 0.00001058 0.52251 2.69608
75 2R4J 13P 0.00001947 0.52083 2.69608
76 2R4J FAD 0.00001947 0.52083 2.69608
77 3ICT ADP 0.0000002585 0.46936 2.69608
78 3ICS ADP 0.0000007648 0.45884 2.69608
79 3L9W AMP 0.0008563 0.42996 2.69608
80 3L9W GSH 0.001178 0.42167 2.69608
81 1WP4 NDP 0.001494 0.41618 2.76817
82 2CVZ NDP 0.0044 0.4007 2.76817
83 4EMI NAD 0.000001581 0.57423 2.92683
84 4EMI FAD 0.0000004327 0.57157 2.92683
85 1GPE FAD 0.00001238 0.52221 2.94118
86 1GQ2 NAP 0.000418 0.4391 2.94118
87 1ZGS XMM 0.01523 0.43061 2.94118
88 5X62 SAH 0.01091 0.40768 2.94118
89 1OMO NAD 0.0006724 0.43941 3.10559
90 1F8G NAD 0.0009502 0.4403 3.125
91 1D4D FAD 0.00000001747 0.63638 3.18627
92 3CGD NAD 0.000002399 0.58011 3.18627
93 3CGD FAD 0.000002399 0.58011 3.18627
94 3CGD COA 0.000002399 0.58011 3.18627
95 2HQM FAD 0.0000005718 0.57292 3.18627
96 1COY AND 0.000003989 0.55403 3.18627
97 1COY FAD 0.000001578 0.55349 3.18627
98 5HSA FAS 0.00005179 0.49184 3.18627
99 2RAB FAD 0.0000001975 0.46182 3.18627
100 5TTJ FAD 0.00001287 0.43657 3.18627
101 5U5G NAP 0.003767 0.4021 3.18627
102 2Q0L NAP 0.0001056 0.50532 3.21543
103 2Q0L FAD 0.0000004221 0.46644 3.21543
104 1P0F NAP 0.001816 0.41853 3.21716
105 5O4J 9KH 0.001201 0.42821 3.28467
106 5O4J SAH 0.001201 0.42821 3.28467
107 5O4J PJL 0.001549 0.42256 3.28467
108 1YKJ FAD 0.0000001499 0.62007 3.29949
109 1YKJ PHB 0.0000001499 0.62007 3.29949
110 3AB1 FAD 0.0000001546 0.5929 3.33333
111 5D4V SAH 0.0004925 0.4152 3.35821
112 3KLJ FAD 0.0000001414 0.58191 3.37662
113 1Q9I FAD 0.000000009894 0.66428 3.43137
114 1Q9I TEO 0.000000009894 0.66428 3.43137
115 3LAD FAD 0.0000001435 0.59741 3.43137
116 3GDN HBX 0.00002384 0.51609 3.43137
117 3GDN FAD 0.00001518 0.51482 3.43137
118 5G3U FDA 0.0000151 0.5095 3.43137
119 5G3U ITW 0.00006439 0.49157 3.43137
120 5WGR FAD 0.0000008732 0.4646 3.43137
121 1MUU NAD 0.0001356 0.46377 3.43137
122 1MV8 NAD 0.000216 0.45205 3.43137
123 3ETG NDP 0.003 0.42996 3.43137
124 3ETG GLU 0.00307 0.42954 3.43137
125 3ETG GTP 0.002469 0.42653 3.43137
126 4RLQ 3SK 0.03801 0.40272 3.43137
127 5CAE COA 0.004959 0.40411 3.51438
128 5JCM NAD 0.0000006781 0.59404 3.54767
129 5JCM FAD 0.0000006423 0.59404 3.54767
130 5JCM ISD 0.0000006781 0.59404 3.54767
131 2CDC XYP 0.0004166 0.47414 3.55191
132 2CDC NAP 0.0005959 0.46746 3.55191
133 2CDC XYS 0.0005959 0.46746 3.55191
134 1YJQ NAP 0.0006062 0.43863 3.63036
135 1ZK7 FAD 0.002283 0.45861 3.64026
136 2BRY FAD 0.000000005448 0.63769 3.67647
137 4TXI FAD 0.00000001283 0.62084 3.67647
138 4M52 FAD 0.0000001163 0.60114 3.67647
139 1MO9 KPC 0.000002321 0.58234 3.67647
140 1MO9 FAD 0.000002357 0.58125 3.67647
141 1PS9 FAD 0.0000007345 0.567 3.67647
142 2YVJ FAD 0.0000009034 0.55709 3.67647
143 4Z24 FAD 0.000002267 0.54851 3.67647
144 2YVJ NAI 0.000003466 0.46803 3.67647
145 2A8X FAD 0.0000002349 0.4653 3.67647
146 1Y8Q ATP 0.0002765 0.4551 3.67647
147 1NAA 6FA 0.0000007262 0.44876 3.67647
148 1PS9 NAP 0.000362 0.4358 3.67647
149 2YVF NAD 0.01418 0.43284 3.67647
150 2YVF FAD 0.01752 0.42789 3.67647
151 1NAA ABL 0.000001294 0.40863 3.67647
152 5GZ6 NDP 0.0006723 0.45049 3.68098
153 5GZ6 7C3 0.001175 0.43292 3.68098
154 3FG2 FAD 0.0000001668 0.52617 3.71287
155 1CDO NAD 0.001134 0.42382 3.74332
156 3ZNN 4WL 0.00001524 0.52939 3.7464
157 3ZNN FAD 0.00001524 0.52939 3.7464
158 3WGT FAD 0.00001018 0.5281 3.7464
159 3WGT QSC 0.00001086 0.5281 3.7464
160 1O94 ADP 0.00000003945 0.5706 3.75
161 3V1Y NAD 0.0001742 0.45572 3.85757
162 1Q1R FAD 0.0000001196 0.50479 3.92157
163 4IV9 FAD 0.0000645 0.48672 3.92157
164 2DKH FAD 0.0003948 0.47876 3.92157
165 2DKH 3HB 0.001587 0.45962 3.92157
166 3NJ4 NAD 0.004828 0.44892 3.92157
167 3NJ4 AFX 0.009481 0.43543 3.92157
168 1UP7 NAD 0.001161 0.41349 3.92157
169 4HA6 FAD 0.0277 0.40776 3.93701
170 5FJN FAD 0.0000007838 0.56733 3.94737
171 5FJN BE2 0.0000009933 0.56733 3.94737
172 1O6Z NAD 0.001374 0.40697 3.9604
173 5JE8 NAD 0.0006686 0.4361 3.97351
174 4YRY FAD 0.00000008581 0.60652 3.98551
175 4YRY NAD 0.0000004359 0.59117 3.98551
176 2PV7 NAD 0.001017 0.42262 4.02685
177 1JQ3 AAT 0.003935 0.40656 4.05405
178 5H81 NAP 0.007115 0.40336 4.11311
179 4XDY NAI 0.003471 0.40475 4.14201
180 5U8U FAD 0.0000003805 0.60483 4.158
181 5JWC FAD 0.00000002591 0.53916 4.16667
182 2GMH FAD 0.0000000539 0.49435 4.16667
183 1QMG APX 0.006861 0.40114 4.16667
184 4NTC FAD 0.0000003127 0.58208 4.1791
185 5KMS FAD 0.000001382 0.54805 4.19753
186 5KMS NAD 0.00002143 0.5241 4.19753
187 1PL6 572 0.001525 0.4215 4.21348
188 1PL6 NAD 0.0003524 0.41498 4.21348
189 3GFB NAD 0.001404 0.41722 4.28571
190 2FZW NAD 0.001562 0.43372 4.28954
191 3TWO NDP 0.00458 0.40631 4.31034
192 2B4R AES 0.0002739 0.44779 4.34783
193 2B4R NAD 0.000315 0.44695 4.34783
194 3IHG FAD 0.000000002073 0.63055 4.41176
195 5MQ6 NDP 0.0003356 0.45546 4.41176
196 3NYC FAD 0.000004021 0.40764 4.46194
197 3NYC IAR 0.000004021 0.40764 4.46194
198 4BVA NDP 0.000959 0.42804 4.47761
199 4BVA T3 0.001876 0.42523 4.47761
200 3CMC NAD 0.002998 0.43794 4.49102
201 2VYN NAD 0.0003227 0.4363 4.49102
202 1HYH NAD 0.0002647 0.4295 4.53074
203 2I3G NAP 0.000781 0.4122 4.54545
204 1U1I NAD 0.001619 0.42306 4.59184
205 4JK3 NAD 0.00123 0.41612 4.6332
206 1NVM NAD 0.0001204 0.46328 4.63768
207 1QO8 FAD 0.00000001157 0.64202 4.65686
208 4YSX FAD 0.0000001603 0.59227 4.65686
209 2VVM FAD 0.00006103 0.48769 4.65686
210 2QA1 FAD 0.0004309 0.4798 4.65686
211 4D7E FAD 0.00007177 0.47955 4.65686
212 2VVL FAD 0.00003278 0.41792 4.65686
213 1VI2 NAD 0.0008651 0.40495 4.66667
214 5DN9 NAD 0.001719 0.42076 4.67033
215 1E6E FAD 0.000000156 0.58588 4.6875
216 1NPD NAD 0.0006606 0.43972 4.86111
217 4JDR FAD 0.00000004625 0.61583 4.90196
218 4OPC FDA 0.0000007451 0.61404 4.90196
219 4OPC PGT 0.0000009489 0.61404 4.90196
220 1X14 NAD 0.000405 0.47318 4.90196
221 1WDK NAD 0.0001444 0.4377 4.90196
222 3QJ4 FAD 0.000005141 0.45387 4.97076
223 4CJX NAP 0.001156 0.41383 5.01567
224 4J4H 1J1 0.002067 0.43158 5.01931
225 4J4H NAI 0.002067 0.43158 5.01931
226 2GVC FAD 0.000005745 0.51845 5.14706
227 2V6O FAD 0.001347 0.48753 5.14706
228 2GV8 FAD 0.000006569 0.46794 5.14706
229 5M67 3D1 0.0004319 0.46164 5.14706
230 5M67 ADE 0.0004589 0.46055 5.14706
231 5I39 FAD 0.000002805 0.45918 5.14706
232 5M67 NAD 0.0005217 0.45823 5.14706
233 2GV8 NDP 0.0002524 0.45671 5.14706
234 4D3F NAP 0.00105 0.40413 5.16129
235 3LLZ GAL NGA 0.03517 0.40128 5.26316
236 1RP0 AHZ 0.002 0.47681 5.28169
237 1ZMD FAD 0.00000006864 0.61206 5.39216
238 2F5Z FAD 0.00000008422 0.60842 5.39216
239 3NTD FAD 0.0000001219 0.59371 5.39216
240 3NTA FAD 0.0000002313 0.58252 5.39216
241 3NT6 FAD 0.0000005028 0.56895 5.39216
242 5J7X FAD 0.000005448 0.52731 5.39216
243 1VQW FAD 0.000005044 0.52068 5.39216
244 5BVA FAD 0.00000001841 0.48994 5.39216
245 1LVL FAD 0.0004458 0.48858 5.39216
246 2XVE FAD 0.0001764 0.48696 5.39216
247 1ZMD NAI 0.00002514 0.47438 5.39216
248 2XVF FAD 0.0000505 0.42524 5.39216
249 4YCA NDP 0.0001421 0.45918 5.44218
250 3ABI NAD 0.001409 0.4201 5.47945
251 1NYT NAP 0.001701 0.4199 5.53506
252 2Q7V FAD 0.0000000801 0.60613 5.53846
253 4USQ FAD 0.003268 0.44008 5.54017
254 1FEC FAD 0.0000003081 0.58967 5.63725
255 1YY5 FAD 0.000007615 0.52964 5.63725
256 1SC6 NAD 0.00253 0.41287 5.69307
257 1J49 NAD 0.002425 0.40341 5.70571
258 4UP3 FAD 0.000001325 0.5551 5.73248
259 4UP3 NDP 0.0001857 0.42938 5.73248
260 2DFV NAD 0.0005397 0.43323 5.76369
261 1C0I BE2 0.03906 0.40253 5.78512
262 1C0I FAD 0.03906 0.40253 5.78512
263 2D2I NAP 0.0001548 0.46936 5.78947
264 5AYV KPL 0.000907 0.43431 5.82524
265 5AYV NAP 0.0008547 0.41106 5.82524
266 3FPZ AHZ 0.009178 0.44998 5.82822
267 3CIF G3H 0.0005105 0.44424 5.84958
268 3CIF NAD 0.0003119 0.44403 5.84958
269 4REP FAD 0.00001107 0.51635 5.85859
270 3G5S FAD 0.00000008744 0.59774 5.88235
271 1V59 FAD 0.0000001985 0.59613 5.88235
272 1RSG FAD 0.000007026 0.52847 5.88235
273 4YNU LGC 0.00003028 0.5096 5.88235
274 4YNU FAD 0.00002566 0.50798 5.88235
275 3NKS FAD 0.00003207 0.49495 5.88235
276 1V59 NAD 0.0000006195 0.45954 5.88235
277 5TS5 FAD 0.000006154 0.43719 5.88235
278 2RGH FAD 0.009658 0.42572 5.88235
279 4KP7 1UQ 0.007041 0.4069 5.88235
280 4KP7 NAP 0.008717 0.40653 5.88235
281 1NVT NAP 0.001286 0.40641 5.92335
282 5J60 FAD 0.0000001241 0.59677 5.9375
283 3CTY FAD 0.00000002077 0.63493 5.95611
284 4RPL FAD 0.00004051 0.51682 6.01504
285 4RPL 3UC 0.00007634 0.50744 6.01504
286 3E1T FAD 0.00000001807 0.63579 6.05469
287 2F1K NAP 0.0001207 0.45418 6.09319
288 3QV1 NAD 0.0001408 0.44704 6.09756
289 1JNR FAD 0.0000001939 0.62535 6.12745
290 2WPF WPF 0.000001075 0.60757 6.12745
291 2WPF FAD 0.00000139 0.60046 6.12745
292 2RGO FAD 0.000006535 0.52264 6.12745
293 2IVD FAD 0.000003276 0.46888 6.12745
294 2YG3 FAD 0.00001899 0.42851 6.12745
295 5JY6 NAD 0.0005656 0.45771 6.17978
296 2A92 NAI 0.001314 0.42405 6.23053
297 1F06 2NP 0.004046 0.40728 6.25
298 1F06 NDP 0.004046 0.40728 6.25
299 1I8T FAD 0.0000189 0.50697 6.26703
300 3HVJ 705 0.005203 0.40631 6.33484
301 4USR FAD 0.000002202 0.53487 6.37119
302 3WLE NAD 0.00208 0.42115 6.37255
303 4A69 I0P 0.03977 0.40166 6.38298
304 3WV8 ATP 0.0003341 0.41186 6.42202
305 2CUL FAD 0.00000005769 0.60123 6.46552
306 4JNA FAD 0.0000003454 0.46663 6.47059
307 2V3A FAD 0.0000002234 0.58313 6.51042
308 2V3B FAD 0.0000002978 0.57641 6.51042
309 4RSL FAD 0.00002048 0.50129 6.51685
310 4EMJ FAD 0.000001233 0.46582 6.54206
311 3L4S NAD 0.0003267 0.42173 6.54762
312 3L4S 3PG 0.0003551 0.41604 6.54762
313 3QFA FAD 0.0000006407 0.5709 6.55106
314 3SQP FAD 0.000002835 0.61365 6.61765
315 5JCA NDP 0.000000293 0.60652 6.61765
316 5JCA FAD 0.0000000914 0.6054 6.61765
317 4K5S FAD 0.0009061 0.46308 6.61765
318 4K5S PM0 0.002088 0.46308 6.61765
319 1REO FAD 0.009796 0.42447 6.61765
320 1VDC FAD 0.01443 0.42394 6.61765
321 1TDF FAD 0.008944 0.4326 6.64557
322 1TDF NAP 0.01807 0.4326 6.64557
323 1ELI PYC 0.00008565 0.47917 6.6838
324 5KKA 6V0 0.005133 0.40078 6.73077
325 2G5C NAD 0.00025 0.44934 6.76157
326 1H82 FAD 0.00002388 0.52016 6.86275
327 1H82 GZZ 0.00003081 0.52016 6.86275
328 2HK9 NAP 0.0008208 0.42217 6.86275
329 2FKA BEF 0.001429 0.47026 6.97674
330 4K28 NAD 0.0005736 0.43876 7.0632
331 3WE0 FAD 0.008215 0.43166 7.06897
332 3S5W FAD 0.000001186 0.54172 7.10784
333 3S5W NAP 0.0000788 0.41452 7.10784
334 2EV9 SKM 0.001288 0.42439 7.22433
335 2EV9 NAP 0.001288 0.42439 7.22433
336 2B9W FAD 0.00001233 0.53228 7.31132
337 4TM3 FAD 0.000008012 0.55058 7.35294
338 2VT3 ATP 0.00005441 0.4097 7.35294
339 2NAD NAD 0.005514 0.4031 7.37913
340 3EGV SAH 0.01009 0.40925 7.48299
341 2OOR NAD 0.001351 0.43386 7.55208
342 1L7E NAI 0.001168 0.41001 7.55208
343 1LDN NAD 0.0003402 0.44564 7.59494
344 1UWK URO 0.0006438 0.45153 7.59804
345 1UWK NAD 0.0006438 0.45153 7.59804
346 1OBB NAD 0.0014 0.42646 7.59804
347 5THQ NDP 0.003605 0.40421 7.72059
348 3LZW NAP 0.004796 0.45282 7.83133
349 3LZW FAD 0.002273 0.45161 7.83133
350 2ZXI FAD 0.0000002531 0.49564 7.84314
351 1KEW NAD 0.003865 0.42373 8.03324
352 3LXD FAD 0.00000006911 0.59811 8.08823
353 3HAD NAD 0.0005995 0.45572 8.11688
354 1BXG NAD 0.0006474 0.4264 8.14607
355 1BW9 NAD 0.0004681 0.41622 8.14607
356 1C1X NAD 0.0006324 0.42684 8.16901
357 1BZL FAD 0.000004799 0.57699 8.33333
358 2IID PHE 0.000008822 0.53737 8.33333
359 2IID FAD 0.000008822 0.53737 8.33333
360 5EZ7 FAD 0.000002281 0.54405 8.41837
361 1EZ4 NAD 0.0005717 0.42849 8.49057
362 4FWE FAD 0.000003326 0.54308 8.54271
363 1YQZ FAD 0.0000008031 0.58569 8.57843
364 3RNM FAD 0.000000135 0.47146 8.62069
365 4XB2 HSE 0.00161 0.42058 8.65672
366 4XB2 NDP 0.0004748 0.42058 8.65672
367 4D79 ATP 0.0001483 0.41822 8.69565
368 4HSU FAD 0.000003603 0.54299 8.76289
369 4GUT FAD 0.000004632 0.54105 8.76289
370 4GUS FAD 0.000004213 0.43085 8.76289
371 4G74 FAD 0.0000000899 0.51581 8.82353
372 4G74 UQ5 0.0000002517 0.44664 8.82353
373 1FWV SGA MAG FUC 0.005936 0.45541 8.95522
374 4C3Y FAD 0.0000003047 0.58253 9.31373
375 4C3Y ANB 0.0000008183 0.57215 9.31373
376 4RDH AMP 0.0002399 0.48866 9.375
377 4RDI ATP 0.0003902 0.40582 9.375
378 1PN0 FAD 0.00000001208 0.64932 9.55882
379 1PN0 IPH 0.00000001313 0.64932 9.55882
380 4X9M FAD 0.000004703 0.5328 9.55882
381 4MIG G3F 0.00001394 0.5236 9.55882
382 2NPX FAD 0.0000003749 0.48921 9.55882
383 2NPX NAD 0.000001254 0.40051 9.55882
384 3F8D FAD 0.000002203 0.57664 9.59752
385 5BUK FAD 0.00000003181 0.62732 9.80392
386 3GMB FAD 0.00000001136 0.55804 9.80392
387 1FL2 FAD 0.0000004504 0.5725 10
388 3AD8 NAD 0.00000007112 0.59567 10.101
389 3AD8 FAD 0.00001436 0.53791 10.101
390 3AD8 PYC 0.00001436 0.53791 10.101
391 2BOS GLA GAL GLC NBU 0.01265 0.41932 10.2941
392 2BOS GLA GAL GLC 0.01858 0.41143 10.2941
393 3VPH NAD 0.0002361 0.45479 10.3226
394 3VPH OXM 0.0004152 0.44781 10.3226
395 4YUW 4JU 0.01382 0.42358 10.5263
396 4YUW S4M 0.01354 0.42358 10.5263
397 2DC1 NAD 0.003712 0.40093 10.5932
398 3ITJ FAD 0.000001113 0.57047 10.9467
399 2GAG NAD 0.00000006469 0.60299 10.9524
400 2GAG FOA 0.000007829 0.5304 10.9524
401 2GAG FAD 0.000007829 0.5304 10.9524
402 4J56 FAD 0.0000009125 0.56747 11.4035
403 3GGO NAI 0.0008687 0.44204 11.465
404 3GGO ENO 0.0008687 0.44204 11.465
405 3H8V ATP 0.0002038 0.41484 11.9863
406 2C7G ODP 0.002455 0.46403 12.0098
407 2C7G FAD 0.002553 0.46403 12.0098
408 2HJR APR 0.0004924 0.41919 12.1951
409 3UOY FAD 0.00001072 0.54425 12.2549
410 3UOY NAP 0.00001072 0.54425 12.2549
411 3OZ2 FAD 0.00000001728 0.51044 12.3426
412 1GTE FAD 0.0000002905 0.40564 13.4804
413 1N4W FAD 0.000003522 0.54207 14.2157
414 3OJO NAD 0.00004611 0.49114 14.2157
415 1GET FAD 0.000001378 0.58176 14.4608
416 1GET NAP 0.000001524 0.58176 14.4608
417 4AT0 FAD 0.002797 0.45642 14.4608
418 1LLU NAD 0.001736 0.42187 15.2047
419 5ODQ FAD 0.0000001391 0.47616 15.7143
420 3T31 FAD 0.003075 0.45952 16.9118
421 3T31 DCQ 0.003318 0.45952 16.9118
422 2Z3Y F2N 0.0000209 0.51041 18.3824
423 1LSS NAD 0.00002406 0.51271 21.4286
424 2E5V FAD 0.00000001177 0.6434 22.549
425 5L95 AMP 0.0006972 0.40184 22.9391
426 4II2 ATP 0.00008872 0.48833 25.3012
427 5EVY FAD 0.0000003649 0.57815 28.6765
428 4EIP K2C 0.000001269 0.56428 32.8431
429 4EIP FAD 0.000001269 0.56428 32.8431
430 2X3N FAD 0.000000007974 0.54301 33.584
431 2RGJ FAD 0.000000000007797 0.67188 35.3234
432 5EOW FAD 0.000000008324 0.63258 35.5556
433 5MZI FYK 0.000000007386 0.67354 40.1961
434 5MZI FAD 0.000000006894 0.67354 40.1961
435 4J36 FAD 0.000000002675 0.64988 40.1961
436 4J36 1HR 0.00000001155 0.64373 40.1961
437 2Y6Q I7T 0.0000001469 0.60296 42.4623
438 2Y6Q FAD 0.00000003965 0.60159 42.4623
Pocket No.: 2; Query (leader) PDB : 5TUK; Ligand: FAD; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 5tuk.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AQJ TRP 0.006052 0.44812 1.47059
2 1T9D P22 0.03173 0.40692 2.45098
3 2D5A COA 0.007036 0.40068 3.47222
4 5N53 8NB 0.04519 0.4003 5.64103
5 2HK9 ATR 0.00005703 0.40242 6.86275
6 4X7Y SAH 0.007366 0.40424 8.0292
Pocket No.: 3; Query (leader) PDB : 5TUK; Ligand: FAD; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 5tuk.bio4) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GND MAN MMA 0.03985 0.40162 2.38095
2 3OFK SAH 0.01574 0.40037 12.5
Pocket No.: 4; Query (leader) PDB : 5TUK; Ligand: FAD; Similar sites found: 37
This union binding pocket(no: 4) in the query (biounit: 5tuk.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZEM NAD 0.003747 0.40622 1.9084
2 4DPL NAP 0.003097 0.40161 1.94986
3 4MOP 2H5 0.000005675 0.40667 2.20588
4 4UP4 NAG 0.04605 0.40553 2.24439
5 4JJF FE9 0.002316 0.40055 2.32558
6 1D1T NAD 0.002185 0.40731 2.41287
7 2I7C AAT 0.0009442 0.40381 2.4735
8 5MDH NAD 0.004063 0.40218 2.7027
9 2RAB NAD 0.0000002381 0.40503 3.18627
10 3A4T SFG 0.00947 0.40072 3.28467
11 4OEV OXL 0.03217 0.41025 3.43137
12 3PGU OLA 0.02714 0.40509 3.43137
13 1L1E SAH 0.01081 0.40722 3.48432
14 3KB6 NAD 0.004316 0.40116 4.19162
15 2O07 SPD 0.00153 0.41315 4.27632
16 1P1C SAH 0.0008326 0.40177 4.41176
17 1XCL SAH 0.003067 0.40441 4.68085
18 3QH2 3NM 0.02938 0.41114 4.97738
19 1LVL NAD 0.007948 0.40187 5.39216
20 1H5Q NAP 0.003056 0.40437 5.66038
21 2PT9 2MH 0.004017 0.40239 5.919
22 4XUC SAM 0.003513 0.40462 5.9633
23 4XUC 43G 0.003513 0.40462 5.9633
24 3WQQ IB3 0.005411 0.40485 6.35246
25 3WQQ NDP 0.005411 0.40485 6.35246
26 2ZIF SAM 0.01219 0.40177 6.73401
27 2CVQ NDP 0.001962 0.41175 7.03364
28 1NM5 NAD 0.004983 0.415 7.55208
29 1HE1 AF3 0.04966 0.40058 7.95455
30 2G30 ALA ALA PHE 0.0184 0.40618 8.13953
31 3EGI ADP 0.007837 0.4418 8.25243
32 2Q46 NAP 0.003351 0.40284 8.3004
33 4YAG NAI 0.007444 0.40031 8.65052
34 2VDV SAM 0.01473 0.41103 12.6016
35 4QTU SAM 0.009592 0.4064 14.0741
36 3ORF NAD 0.003317 0.40301 14.741
37 5E8J SAH 0.009738 0.41973 20.4545
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