Receptor
PDB id Resolution Class Description Source Keywords
3UER 2.1 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM DEINOCOCCUS GEOTHERMA COMPLEX WITH TURANOSE DEINOCOCCUS GEOTHERMALIS ALPHA/BETA-BARREL CARBOHYDRATE TRANSFERASE GLUCOSYLTRANSFGLYCOSIDE HYDROLASE THERMOSTABILITY AMYLOSE SYNTHESIS SUISOMERIZATION
Ref.: STRUCTURAL INVESTIGATION OF THE THERMOSTABILITY AND SPECIFICITY OF AMYLOSUCRASE FROM THE BACTERIUM DEIN GEOTHERMALIS. J.BIOL.CHEM. V. 287 6642 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTU A:701;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
TUR A:700;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UER 2.1 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM DEINOCOCCUS GEOTHERMA COMPLEX WITH TURANOSE DEINOCOCCUS GEOTHERMALIS ALPHA/BETA-BARREL CARBOHYDRATE TRANSFERASE GLUCOSYLTRANSFGLYCOSIDE HYDROLASE THERMOSTABILITY AMYLOSE SYNTHESIS SUISOMERIZATION
Ref.: STRUCTURAL INVESTIGATION OF THE THERMOSTABILITY AND SPECIFICITY OF AMYLOSUCRASE FROM THE BACTERIUM DEIN GEOTHERMALIS. J.BIOL.CHEM. V. 287 6642 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3UER - TUR C12 H22 O11 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3UER - TUR C12 H22 O11 C([C@@H]1[....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MW3 - SUC C12 H22 O11 C([C@@H]1[....
2 1MW2 - SUC C12 H22 O11 C([C@@H]1[....
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - SUC C12 H22 O11 C([C@@H]1[....
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - SUC C12 H22 O11 C([C@@H]1[....
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - OTU C12 H22 O11 C([C@@H]1[....
10 1MW1 - SUC C12 H22 O11 C([C@@H]1[....
11 5N7J - SUC C12 H22 O11 C([C@@H]1[....
12 3CZG - GLC C6 H12 O6 C([C@@H]1[....
13 3CZL - GLC C6 H12 O6 C([C@@H]1[....
14 3UER - TUR C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTU; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 TUR 1 1
2 BTU 1 1
3 GLC BDF 0.583333 0.871795
4 BMA FRU 0.551724 1
5 FRU GAL 0.551724 1
6 TRE 0.520833 0.842105
7 RZM 0.42623 0.777778
8 2M4 0.423729 0.842105
9 BGC BGC 0.423729 0.842105
10 MAN MAN 0.423729 0.842105
11 GLA MBG 0.423729 0.8
12 LAT GLA 0.423729 0.842105
13 LAT 0.416667 0.842105
14 BGC GLC 0.416667 0.842105
15 B2G 0.416667 0.842105
16 GLC BGC 0.416667 0.842105
17 MAL MAL 0.416667 0.820513
18 LBT 0.416667 0.842105
19 BMA GAL 0.416667 0.842105
20 GAL BGC 0.416667 0.842105
21 BGC GAL 0.416667 0.842105
22 LB2 0.416667 0.842105
23 CBI 0.416667 0.842105
24 CBK 0.416667 0.842105
25 GLA GAL 0.416667 0.842105
26 GAL GLC 0.416667 0.842105
27 MAB 0.416667 0.842105
28 BMA BMA 0.416667 0.842105
29 M3M 0.416667 0.842105
30 GLC GAL 0.416667 0.842105
31 N9S 0.416667 0.842105
32 GLA GLA 0.416667 0.842105
33 MAL 0.416667 0.842105
34 MAN GLC 0.416667 0.842105
35 BGC BMA 0.416667 0.842105
36 5QP 0.40625 0.794872
37 MMA MAN 0.403226 0.8
38 M13 0.403226 0.8
39 MDM 0.403226 0.8
40 T6P 0.403226 0.702128
41 DR5 0.403226 0.8
42 GAL MBG 0.403226 0.8
Ligand no: 2; Ligand: TUR; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 TUR 1 1
2 BTU 1 1
3 GLC BDF 0.583333 0.871795
4 BMA FRU 0.551724 1
5 FRU GAL 0.551724 1
6 TRE 0.520833 0.842105
7 RZM 0.42623 0.777778
8 2M4 0.423729 0.842105
9 BGC BGC 0.423729 0.842105
10 MAN MAN 0.423729 0.842105
11 GLA MBG 0.423729 0.8
12 LAT GLA 0.423729 0.842105
13 LAT 0.416667 0.842105
14 BGC GLC 0.416667 0.842105
15 B2G 0.416667 0.842105
16 GLC BGC 0.416667 0.842105
17 MAL MAL 0.416667 0.820513
18 LBT 0.416667 0.842105
19 BMA GAL 0.416667 0.842105
20 GAL BGC 0.416667 0.842105
21 BGC GAL 0.416667 0.842105
22 LB2 0.416667 0.842105
23 CBI 0.416667 0.842105
24 CBK 0.416667 0.842105
25 GLA GAL 0.416667 0.842105
26 GAL GLC 0.416667 0.842105
27 MAB 0.416667 0.842105
28 BMA BMA 0.416667 0.842105
29 M3M 0.416667 0.842105
30 GLC GAL 0.416667 0.842105
31 N9S 0.416667 0.842105
32 GLA GLA 0.416667 0.842105
33 MAL 0.416667 0.842105
34 MAN GLC 0.416667 0.842105
35 BGC BMA 0.416667 0.842105
36 5QP 0.40625 0.794872
37 MMA MAN 0.403226 0.8
38 M13 0.403226 0.8
39 MDM 0.403226 0.8
40 T6P 0.403226 0.702128
41 DR5 0.403226 0.8
42 GAL MBG 0.403226 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UER; Ligand: BTU; Similar sites found: 306
This union binding pocket(no: 1) in the query (biounit: 3uer.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.03471 0.41057 None
2 4NES UDP 0.001825 0.41377 1.06952
3 2WGC SIA GAL BGC 0.01004 0.43971 1.16959
4 3Q9T FAY 0.003881 0.42929 1.21317
5 3O2K DST 0.001333 0.4281 1.26582
6 3KLL MAL 0.000005797 0.58788 1.52672
7 1LTH NAD 0.03245 0.4015 1.5674
8 3WCS MAN NAG 0.004289 0.40771 1.5748
9 4DYO SD4 0.004635 0.40124 1.64948
10 4IS0 GDS 0.002106 0.41145 1.65975
11 2FHF GLC GLC GLC GLC 0.00009769 0.51511 1.67939
12 3UH0 TSB 0.002581 0.41765 1.67939
13 4RJK PYR 0.02875 0.41502 1.75131
14 3FED BIX 0.0006535 0.43041 1.83206
15 2YIV NBN 0.01472 0.40165 1.83206
16 3ZPG 5GP 0.01499 0.41418 1.83246
17 1UBY DMA 0.001391 0.41817 1.90736
18 4N02 FNR 0.02247 0.40843 1.96078
19 3ZGE ASP 0.01853 0.40309 1.98473
20 1TIW FAD 0.002162 0.43976 1.99336
21 1TIW TFB 0.002162 0.43976 1.99336
22 1Y42 TYR 0.0008059 0.43687 2.04082
23 1EDO NAP 0.01692 0.42278 2.04918
24 1D6H COA 0.002971 0.43917 2.06718
25 1IGW PYR 0.04338 0.40788 2.07373
26 4PLG NAI 0.004446 0.42579 2.09581
27 4PLG OXM 0.004446 0.42579 2.09581
28 3LZW NAP 0.01752 0.41657 2.10843
29 3LZW FAD 0.01287 0.40779 2.10843
30 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.005838 0.42401 2.11538
31 2F2U M77 0.003245 0.40228 2.1374
32 2ZWS PLM 0.006179 0.45103 2.16718
33 1TDF FAD 0.01173 0.41669 2.21519
34 4G1V FAD 0.003566 0.41696 2.25564
35 3U1T MLI 0.002819 0.43392 2.26537
36 2PUL ACP 0.0004338 0.43464 2.267
37 3MAG 3MA 0.004307 0.44946 2.28013
38 4GYW UDP 0.000877 0.44833 2.29008
39 3MCT SAH 0.004015 0.40678 2.3569
40 2Q1A 2KT 0.007962 0.40762 2.38908
41 3BHO B4P 0.01879 0.4167 2.40385
42 1V35 NAI 0.02097 0.40175 2.43161
43 3AHC TPP 0.01181 0.40043 2.44275
44 2YVF FAD 0.02268 0.41295 2.45098
45 2YVF NAD 0.02343 0.41295 2.45098
46 1ZED PNP 0.001122 0.45185 2.47934
47 2XK9 XK9 0.006485 0.41573 2.48447
48 1P9B IMO 0.008048 0.40011 2.48869
49 3U4C NDP 0.01098 0.40042 2.4911
50 2DKH 3HB 0.01777 0.40293 2.50391
51 3F3E LEU 0.01235 0.40752 2.59542
52 4R33 SAH 0.002002 0.43521 2.61905
53 4R33 TRP 0.002002 0.43521 2.61905
54 1G94 DAF GLC DAF GLC GLC 0.000002438 0.58815 2.67857
55 1V7R CIT 0.02543 0.40994 2.68817
56 1Y7P RIP 0.01293 0.41043 2.69058
57 2CSN CKI 0.00432 0.41218 2.6936
58 2YYJ 4HP 0.02547 0.42005 2.7027
59 2YYJ FAD 0.02547 0.42005 2.7027
60 2XI7 XI7 0.01376 0.43233 2.71739
61 1OMZ UD2 0.01374 0.41124 2.73038
62 4DQ2 BTX 0.00443 0.4161 2.7439
63 4LWA Q13 0.01926 0.40148 2.75482
64 1KOL NAD 0.0000341 0.51112 2.76382
65 2BO4 FLC 0.001311 0.44882 2.77078
66 4IVG ANP 0.02123 0.40804 2.78207
67 1F1V DHY 0.0008054 0.43075 2.78638
68 1E7S NAP 0.01114 0.40388 2.80374
69 2C31 TZD 0.03937 0.40795 2.8169
70 4KCF AKM 0.007064 0.40074 2.86344
71 4W6Z ETF 0.003805 0.44328 2.88184
72 1JGS SAL 0.03281 0.4119 2.89855
73 2B4Q NAP 0.006343 0.41123 2.89855
74 1I7L ATP 0.00117 0.43093 2.91262
75 1E4E PHY 0.001133 0.40102 2.91545
76 3FXU TSU 0.005302 0.40716 2.95082
77 2GSD NAD 0.00261 0.43299 2.98507
78 1I0Z OXM 0.0196 0.40846 3.003
79 1FA2 DOM 0.008407 0.40504 3.05344
80 2YBQ SAH 0.004906 0.40163 3.08219
81 4MWV BCZ 0.01351 0.40592 3.09278
82 1A5Z OXM 0.01557 0.40664 3.1348
83 2F01 BTN 0.01842 0.4194 3.14961
84 2F01 BTQ 0.02088 0.41698 3.14961
85 4AQL TXC 0.00257 0.40822 3.15126
86 1PX8 XYP 0.003326 0.41785 3.2
87 2YGN PCF 0.006999 0.40821 3.20513
88 1SS4 GSH 0.003319 0.4707 3.26797
89 5EQU AKG 0.002736 0.44199 3.27869
90 2W8Q SIN 0.00893 0.41143 3.28542
91 1DSS NAD 0.001261 0.43309 3.3033
92 1YRX FMN 0.0001176 0.44054 3.30579
93 2V7T SAH 0.01806 0.42971 3.34448
94 8CGT TM6 0.000006955 0.56395 3.35878
95 3WKX FUB 0.0002154 0.40469 3.35878
96 2VPR TDC 0.0008923 0.40332 3.38164
97 4B16 NAG 0.0244 0.41086 3.38346
98 4A6D SAM 0.005269 0.40045 3.39943
99 1EB9 HBA 0.001953 0.40563 3.43511
100 1PFK ADP 0.001555 0.41412 3.4375
101 1QH9 LAC 0.002262 0.43123 3.44828
102 3TKA CTN 0.0009634 0.4958 3.45821
103 1E5F PLP 0.0008491 0.40446 3.46535
104 2VQ5 LDP 0.01652 0.41211 3.48259
105 4O1M NAD 0.007155 0.40914 3.49206
106 1Q11 TYE 0.005943 0.40201 3.49462
107 3UR0 SVR 0.008267 0.42142 3.49515
108 1SOW NAD 0.0103 0.40525 3.51145
109 3KJI ADP 0.0008034 0.42473 3.54331
110 1IUP ALQ 0.002355 0.4284 3.5461
111 4P3H 25G 0.01931 0.40585 3.62694
112 2J7T 274 0.002813 0.42393 3.64238
113 1H9G COA MYR 0.003218 0.41871 3.7037
114 1A59 CIT 0.008475 0.41245 3.7037
115 4K30 NLG 0.006253 0.40112 3.75
116 2BLE 5GP 0.03361 0.40479 3.81471
117 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01728 0.4115 3.84615
118 1GEX PLP HSA 0.001462 0.43057 3.93258
119 4F4S EFO 0.006166 0.40136 3.94737
120 1UF5 CDT 0.0001816 0.44931 3.9604
121 1TUF AZ1 0.007082 0.40227 3.96947
122 1PTR PRB 0.01007 0.40908 4
123 3E5P PPI 0.0009825 0.50223 4.04313
124 3L24 GOA 0.0057 0.43472 4.0619
125 4NTD FAD 0.008005 0.41632 4.11765
126 3P0K FAD 0.001771 0.4222 4.13534
127 2QCX PF1 0.00325 0.41826 4.18251
128 1Y75 NAG 0.001926 0.41605 4.23729
129 1GAD NAD 0.005378 0.40994 4.24242
130 4NAO AKG 0.006876 0.41653 4.29448
131 2NLI LAC 0.02796 0.40831 4.34783
132 4M5P MLA 0.01965 0.41571 4.4226
133 4M5P 23W 0.01699 0.40487 4.4226
134 3I0O SMI 0.003086 0.4192 4.42478
135 1Z45 GAL 0.0008916 0.43511 4.42748
136 1JDC GLC GLC GLC GLC 0.00005379 0.51929 4.4289
137 2HGS ADP 0.0006101 0.43995 4.43038
138 1A5V Y3 0.006795 0.40492 4.43038
139 1Z42 HBA 0.001322 0.49615 4.43787
140 1Z44 NPO 0.004396 0.45897 4.43787
141 1P72 THM 0.0006251 0.40508 4.49102
142 2XVE FAD 0.02641 0.41065 4.52586
143 1V1A ADP 0.002244 0.42783 4.53074
144 1V1A KDG 0.003933 0.40621 4.53074
145 1CL2 PPG 0.0005358 0.43807 4.58015
146 1JN2 SFP 0.01734 0.44901 4.64135
147 2Q8H TF4 0.0133 0.41673 4.6683
148 2PT9 2MH 0.0005108 0.46051 4.6729
149 2PT9 S4M 0.001912 0.42602 4.6729
150 4Q3R XA2 0.008759 0.40016 4.67532
151 1R27 MGD 0.00974 0.41073 4.6875
152 4TMK T5A 0.01758 0.43737 4.69484
153 1GU3 BGC BGC BGC BGC BGC 0.004996 0.40504 4.69799
154 1H16 PYR 0.01861 0.403 4.73282
155 2JFV FLC 0.008545 0.40629 4.811
156 1XE7 GUN 0.009337 0.42425 4.92611
157 1T26 NAI 0.00636 0.45234 4.96894
158 1T26 GBD 0.00636 0.45234 4.96894
159 1WVG APR 0.004018 0.41341 5.01393
160 1WVG CXY 0.005826 0.40232 5.01393
161 1TOI HCI 0.008319 0.40522 5.05051
162 2Q8M AMP 0.002699 0.40051 5.12048
163 1O9U ADZ 0.002923 0.44886 5.14286
164 4I71 AGV 0.003293 0.40624 5.15152
165 1UXG FUM 0.0102 0.41197 5.17799
166 1UXG NAD 0.0102 0.41197 5.17799
167 2YC5 6BC 0.008563 0.41194 5.26316
168 3R35 4CO 0.01063 0.4035 5.29801
169 3PFG TLO 0.01095 0.41265 5.32319
170 3PFG SAM 0.01095 0.41265 5.32319
171 8CAT NDP 0.005432 0.40176 5.33597
172 1RYI GOA 0.004377 0.46428 5.34351
173 1PEA ACM 0.007637 0.42115 5.45455
174 3K5X P8D 0.0005373 0.42084 5.5
175 4F8L GAL 0.04161 0.40627 5.51724
176 3CL7 HYN 0.007129 0.40216 5.51948
177 2Q37 3AL 0.0006771 0.4466 5.52486
178 1SC3 MLI 0.01271 0.41079 5.68182
179 3NNF AKG 0.01005 0.40323 5.81395
180 5YAS FAC 0.001915 0.40122 5.83658
181 1Q3Q ANP 0.02976 0.40584 5.83942
182 1QRD DQN 0.01185 0.41221 5.86081
183 3SQG COM 0.01531 0.42127 5.87219
184 3MB5 SAM 0.01017 0.42174 5.88235
185 1YGC 905 0.003162 0.40886 5.90551
186 2C7G FAD 0.02369 0.40951 5.92105
187 2C7G ODP 0.02286 0.40951 5.92105
188 3S9K CIT 0.01976 0.42267 5.9322
189 1GSA ADP 0.002715 0.41507 6.01266
190 1GSA GSH 0.01113 0.41328 6.01266
191 3IOI 1GW 0.008356 0.40892 6.04027
192 1R37 NAD 0.01567 0.40012 6.05187
193 1OLS TDP 0.01303 0.41308 6.14035
194 4INB 1F6 0.001271 0.42386 6.16438
195 2OYS FMN 0.0008363 0.43277 6.19835
196 3R51 MMA 0.01709 0.41138 6.25
197 3WE0 FAD 0.008119 0.42086 6.25954
198 4LNL 2BO 0.003172 0.40264 6.30631
199 4LNL 2BK 0.003172 0.40264 6.30631
200 2GJP BGC GLC DAF GLC GLC GLC DAF 0.0001267 0.5471 6.39175
201 3BMW GLC GLC G6D ACI GLC GLC GLC 0.00000046 0.61757 6.41221
202 1QHO ABD 0.000002254 0.59872 6.41221
203 1H8P PC 0.01264 0.41781 6.42202
204 2NCD ADP 0.005082 0.41018 6.42857
205 1WGC SIA GAL BGC 0.005212 0.44523 6.43275
206 1I2B UPG 0.01419 0.4185 6.43564
207 1I2B NAD 0.01419 0.4185 6.43564
208 1I2B USQ 0.01419 0.4185 6.43564
209 4COQ SAN 0.006413 0.41168 6.47773
210 2HGZ PBF 0.0009179 0.43676 6.53595
211 1Y1A GSH 0.001337 0.4935 6.55738
212 3WBF API 0.003178 0.4271 6.55738
213 2D3N GLC GLC GLC GLC 0.00004573 0.55046 6.59794
214 2D3N GLC GLC GLC GLC GLC GLC 0.00004027 0.55046 6.59794
215 2D3N GLC 0.00003516 0.55046 6.59794
216 2BZ1 TAU 0.003591 0.46367 6.63265
217 1ULE GLA GAL NAG 0.002105 0.4473 6.66667
218 2OCI TYC 0.01258 0.41076 6.69291
219 1I1Q TRP 0.004247 0.40272 6.73077
220 3FPZ AHZ 0.03726 0.41155 6.74847
221 3DDC GNP 0.005008 0.40967 6.74847
222 1Y9Q MED 0.00443 0.41862 6.77083
223 4N7C AEF 0.009634 0.40995 6.81818
224 2EWM NAD 0.003072 0.42513 6.82731
225 2V5E SCR 0.0005958 0.49327 6.93069
226 1ZJ6 G3D 0.002412 0.4023 6.95187
227 2VDJ HSE 0.003121 0.43932 6.97674
228 4LSJ LSJ 0.0008374 0.43274 6.97674
229 4M51 BEZ 0.001605 0.4528 7.02576
230 3SJ0 DXC 0.001126 0.45178 7.04225
231 1OTH PAO 0.005589 0.41596 7.16511
232 9LDT OXM 0.007269 0.43785 7.22892
233 9LDB NAD 0.001997 0.43263 7.22892
234 4GQB 0XU 0.02116 0.40956 7.26744
235 1FIQ FAD 0.00756 0.41303 7.30594
236 1FIQ MTE 0.006474 0.41088 7.30594
237 3CXO 3LR 0.008454 0.40494 7.46988
238 3CXO 1N5 0.01076 0.40329 7.46988
239 2GJ3 FAD 0.006912 0.41038 7.5
240 4EXO PYR 0.005137 0.42921 7.53425
241 4WBD CIT 0.007433 0.4217 7.57856
242 4WBD ADP 0.005693 0.42022 7.57856
243 3K8L CEY 0.0000004534 0.50422 8.24428
244 3K8L MT7 0.0000003746 0.46514 8.24428
245 1JAC AMG 0.004831 0.44691 8.27068
246 3EDF ACX 0.0000001495 0.63779 8.31947
247 3EDF CE6 0.0000001727 0.63779 8.31947
248 1XX4 BAM 0.001456 0.46361 8.42912
249 3BY8 MLT 0.003191 0.4315 8.4507
250 1GJW MAL 0.004076 0.41321 8.47724
251 1BTN I3P 0.0002569 0.52898 8.49057
252 1OAA OAA 0.01453 0.41022 8.49421
253 2OX9 GAL NAG FUC 0.01934 0.42206 8.57143
254 1JIL 485 0.004807 0.40196 8.57143
255 3D3W NAP 0.002762 0.42956 8.60656
256 1PR9 NAP 0.01348 0.40167 8.60656
257 1PIG AGL GLC HMC AGL GLC BGC 0.00001122 0.57682 8.87097
258 3VPD ANP 0.001764 0.4204 8.8968
259 3E81 SLB 0.007348 0.4035 9.14634
260 1UA7 ACI GLD GLC ACI G6D BGC 0.000006136 0.45698 9.24171
261 1JA9 NDP 0.02919 0.41221 9.48905
262 1J0I GLC GLC GLC 0.00000009703 0.61457 9.52381
263 3U5S FAD 0.006019 0.40006 9.52381
264 1OIK C26 0.0001006 0.45814 9.63455
265 2D37 NAD 0.009472 0.40164 9.65909
266 2D37 FMN 0.008738 0.40164 9.65909
267 2D0V PQQ 0.0008855 0.42981 9.72222
268 3VM7 GLC 0.003608 0.42488 9.7561
269 2B82 ADN 0.002769 0.41293 9.95261
270 1D09 PAL 0.03518 0.42206 10.4575
271 1T0S BML 0.01789 0.4038 10.4651
272 1QO0 BMD 0.003449 0.42332 10.7143
273 1NZY BCA 0.004401 0.41481 10.7807
274 4G28 0W8 0.003607 0.40547 10.7843
275 1UH4 GLC GLC GLC 0.00000002645 0.68795 10.8397
276 1VB9 GLC GLC GLC GLC GLC GLC 0.0000001835 0.63048 10.9924
277 1BGQ RDC 0.0006298 0.44653 11.1111
278 1ZZ7 S0H 0.001542 0.42555 11.1111
279 1TUV VK3 0.005845 0.43419 11.4035
280 2HW1 ANP 0.00471 0.40413 11.4094
281 2ALG DAO 0.002934 0.41197 11.9565
282 2ALG HP6 0.002934 0.41197 11.9565
283 2CXG GLC G6D ACI GLC 0.000002187 0.6107 12.3664
284 2Q97 ATP 0.002834 0.41436 12.4031
285 3F81 STT 0.01563 0.4133 12.5683
286 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.00002236 0.5587 13.0217
287 1NU4 MLA 0.01075 0.42915 13.4021
288 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.0000249 0.55637 13.5878
289 4UBP HAE 0.004417 0.40429 13.8614
290 3I6B KDO 0.006578 0.40023 13.8889
291 4E2O ACI G6D GLC ACI G6D BGC 0.0000001296 0.57477 13.8931
292 1TU3 GNP 0.007147 0.40363 15.2047
293 1H8G CHT 0.003629 0.46343 15.7895
294 3WY2 BGC 0.002618 0.43903 15.9851
295 3AXI GLC 0.00000001132 0.68376 16.129
296 2PWG CTS 0.00000001653 0.67962 17.446
297 4HPH SUC 0.000000003399 0.70012 17.5313
298 3GBE NOJ 0.0000000003942 0.6607 18.2796
299 1OFH ADP 0.02658 0.40864 18.9655
300 2GDV BGC 0.00000000002846 0.80522 19.246
301 4M56 GLO 0.00001748 0.48964 19.6078
302 3QP6 HL6 0.001158 0.40674 19.6226
303 2ZID GLC GLC GLC 0.0000000008151 0.73304 19.8895
304 1LWJ ACG 0.0000001453 0.63837 24.263
305 1N9L FMN 0.0002625 0.40912 30.2752
306 4CCN OGA 0.002296 0.43095 37.1429
Pocket No.: 2; Query (leader) PDB : 3UER; Ligand: TUR; Similar sites found: 275
This union binding pocket(no: 2) in the query (biounit: 3uer.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.03471 0.41057 None
2 4NES UDP 0.001825 0.41377 1.06952
3 2WGC SIA GAL BGC 0.01004 0.43971 1.16959
4 3Q9T FAY 0.003881 0.42929 1.21317
5 3O2K DST 0.001333 0.4281 1.26582
6 1LTH NAD 0.03245 0.4015 1.5674
7 3WCS MAN NAG 0.004289 0.40771 1.5748
8 4DYO SD4 0.004635 0.40124 1.64948
9 4IS0 GDS 0.002106 0.41145 1.65975
10 3UH0 TSB 0.002581 0.41765 1.67939
11 4RJK PYR 0.02875 0.41502 1.75131
12 3FED BIX 0.0006535 0.43041 1.83206
13 2YIV NBN 0.01472 0.40165 1.83206
14 3ZPG 5GP 0.01499 0.41418 1.83246
15 1UBY DMA 0.001391 0.41817 1.90736
16 4N02 FNR 0.02247 0.40843 1.96078
17 3ZGE ASP 0.01853 0.40309 1.98473
18 1TIW TFB 0.002162 0.43976 1.99336
19 1TIW FAD 0.002162 0.43976 1.99336
20 1Y42 TYR 0.0008059 0.43687 2.04082
21 1EDO NAP 0.01692 0.42278 2.04918
22 1D6H COA 0.002971 0.43917 2.06718
23 1IGW PYR 0.04338 0.40788 2.07373
24 4PLG OXM 0.004446 0.42579 2.09581
25 4PLG NAI 0.004446 0.42579 2.09581
26 3LZW NAP 0.01752 0.41657 2.10843
27 3LZW FAD 0.01287 0.40779 2.10843
28 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.005838 0.42401 2.11538
29 2F2U M77 0.003245 0.40228 2.1374
30 2ZWS PLM 0.006179 0.45103 2.16718
31 1TDF FAD 0.01173 0.41669 2.21519
32 4G1V FAD 0.003566 0.41696 2.25564
33 3U1T MLI 0.002819 0.43392 2.26537
34 2PUL ACP 0.0004338 0.43464 2.267
35 3MAG 3MA 0.004307 0.44946 2.28013
36 4GYW UDP 0.000877 0.44833 2.29008
37 3MCT SAH 0.004015 0.40678 2.3569
38 2Q1A 2KT 0.007962 0.40762 2.38908
39 3BHO B4P 0.01879 0.4167 2.40385
40 1V35 NAI 0.02097 0.40175 2.43161
41 3AHC TPP 0.01181 0.40043 2.44275
42 2YVF NAD 0.02343 0.41295 2.45098
43 2YVF FAD 0.02268 0.41295 2.45098
44 1ZED PNP 0.001122 0.45185 2.47934
45 2XK9 XK9 0.006485 0.41573 2.48447
46 1P9B IMO 0.008048 0.40011 2.48869
47 3U4C NDP 0.01098 0.40042 2.4911
48 2DKH 3HB 0.01777 0.40293 2.50391
49 3F3E LEU 0.01235 0.40752 2.59542
50 4R33 SAH 0.002002 0.43521 2.61905
51 4R33 TRP 0.002002 0.43521 2.61905
52 1V7R CIT 0.02543 0.40994 2.68817
53 1Y7P RIP 0.01293 0.41043 2.69058
54 2CSN CKI 0.00432 0.41218 2.6936
55 2YYJ 4HP 0.02547 0.42005 2.7027
56 2YYJ FAD 0.02547 0.42005 2.7027
57 2XI7 XI7 0.01376 0.43233 2.71739
58 1OMZ UD2 0.01374 0.41124 2.73038
59 4DQ2 BTX 0.00443 0.4161 2.7439
60 4LWA Q13 0.01926 0.40148 2.75482
61 1KOL NAD 0.0000341 0.51112 2.76382
62 2BO4 FLC 0.001311 0.44882 2.77078
63 4IVG ANP 0.02123 0.40804 2.78207
64 1F1V DHY 0.0008054 0.43075 2.78638
65 1E7S NAP 0.01114 0.40388 2.80374
66 2C31 TZD 0.03937 0.40795 2.8169
67 4KCF AKM 0.007064 0.40074 2.86344
68 4W6Z ETF 0.003805 0.44328 2.88184
69 1JGS SAL 0.03281 0.4119 2.89855
70 2B4Q NAP 0.006343 0.41123 2.89855
71 1I7L ATP 0.00117 0.43093 2.91262
72 1E4E PHY 0.001133 0.40102 2.91545
73 3FXU TSU 0.005302 0.40716 2.95082
74 2GSD NAD 0.00261 0.43299 2.98507
75 1I0Z OXM 0.0196 0.40846 3.003
76 1FA2 DOM 0.008407 0.40504 3.05344
77 2YBQ SAH 0.004906 0.40163 3.08219
78 4MWV BCZ 0.01351 0.40592 3.09278
79 1A5Z OXM 0.01557 0.40664 3.1348
80 2F01 BTN 0.01842 0.4194 3.14961
81 2F01 BTQ 0.02088 0.41698 3.14961
82 4AQL TXC 0.00257 0.40822 3.15126
83 1PX8 XYP 0.003326 0.41785 3.2
84 2YGN PCF 0.006999 0.40821 3.20513
85 2IYG FMN 0.001947 0.40568 3.22581
86 1SS4 GSH 0.003319 0.4707 3.26797
87 5EQU AKG 0.002736 0.44199 3.27869
88 2W8Q SIN 0.00893 0.41143 3.28542
89 1DSS NAD 0.001261 0.43309 3.3033
90 1YRX FMN 0.0001176 0.44054 3.30579
91 2V7T SAH 0.01806 0.42971 3.34448
92 3WKX FUB 0.0002154 0.40469 3.35878
93 2VPR TDC 0.0008923 0.40332 3.38164
94 4B16 NAG 0.0244 0.41086 3.38346
95 4A6D SAM 0.005269 0.40045 3.39943
96 1EB9 HBA 0.001953 0.40563 3.43511
97 1PFK ADP 0.001555 0.41412 3.4375
98 1QH9 LAC 0.002262 0.43123 3.44828
99 3TKA CTN 0.0009634 0.4958 3.45821
100 1E5F PLP 0.0008491 0.40446 3.46535
101 2VQ5 HBA 0.006443 0.4178 3.48259
102 2VQ5 LDP 0.01652 0.41211 3.48259
103 4O1M NAD 0.007155 0.40914 3.49206
104 1Q11 TYE 0.005943 0.40201 3.49462
105 3UR0 SVR 0.008267 0.42142 3.49515
106 1SOW NAD 0.0103 0.40525 3.51145
107 3KJI ADP 0.0008034 0.42473 3.54331
108 1IUP ALQ 0.002355 0.4284 3.5461
109 4P3H 25G 0.01931 0.40585 3.62694
110 2J7T 274 0.002813 0.42393 3.64238
111 1H9G COA MYR 0.003218 0.41871 3.7037
112 1A59 CIT 0.008475 0.41245 3.7037
113 4K30 NLG 0.006253 0.40112 3.75
114 2BLE 5GP 0.03361 0.40479 3.81471
115 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01728 0.4115 3.84615
116 1GEX PLP HSA 0.001462 0.43057 3.93258
117 4F4S EFO 0.006166 0.40136 3.94737
118 1UF5 CDT 0.0001816 0.44931 3.9604
119 1TUF AZ1 0.007082 0.40227 3.96947
120 1PTR PRB 0.01007 0.40908 4
121 3E5P PPI 0.0009825 0.50223 4.04313
122 3L24 GOA 0.0057 0.43472 4.0619
123 4NTD FAD 0.008005 0.41632 4.11765
124 3P0K FAD 0.001771 0.4222 4.13534
125 2QCX PF1 0.00325 0.41826 4.18251
126 1Y75 NAG 0.001926 0.41605 4.23729
127 1GAD NAD 0.005378 0.40994 4.24242
128 4NAO AKG 0.006876 0.41653 4.29448
129 2NLI LAC 0.02796 0.40831 4.34783
130 4M5P MLA 0.01965 0.41571 4.4226
131 4M5P 23W 0.01699 0.40487 4.4226
132 3I0O SMI 0.003086 0.4192 4.42478
133 1Z45 GAL 0.0008916 0.43511 4.42748
134 2HGS ADP 0.0006101 0.43995 4.43038
135 1A5V Y3 0.006795 0.40492 4.43038
136 1Z42 HBA 0.001322 0.49615 4.43787
137 1Z44 NPO 0.004396 0.45897 4.43787
138 1P72 THM 0.0006251 0.40508 4.49102
139 2XVE FAD 0.02641 0.41065 4.52586
140 1V1A ADP 0.002244 0.42783 4.53074
141 1V1A KDG 0.003933 0.40621 4.53074
142 1CL2 PPG 0.0005358 0.43807 4.58015
143 1JN2 SFP 0.01734 0.44901 4.64135
144 2Q8H TF4 0.0133 0.41673 4.6683
145 2PT9 2MH 0.0005108 0.46051 4.6729
146 2PT9 S4M 0.001912 0.42602 4.6729
147 4Q3R XA2 0.008759 0.40016 4.67532
148 1R27 MGD 0.00974 0.41073 4.6875
149 4TMK T5A 0.01758 0.43737 4.69484
150 1GU3 BGC BGC BGC BGC BGC 0.004996 0.40504 4.69799
151 1H16 PYR 0.01861 0.403 4.73282
152 2JFV FLC 0.008545 0.40629 4.811
153 1XE7 GUN 0.009337 0.42425 4.92611
154 1T26 GBD 0.00636 0.45234 4.96894
155 1T26 NAI 0.00636 0.45234 4.96894
156 1WVG APR 0.004018 0.41341 5.01393
157 1WVG CXY 0.005826 0.40232 5.01393
158 1TOI HCI 0.008319 0.40522 5.05051
159 2Q8M AMP 0.002699 0.40051 5.12048
160 1O9U ADZ 0.002923 0.44886 5.14286
161 4I71 AGV 0.003293 0.40624 5.15152
162 1UXG FUM 0.0102 0.41197 5.17799
163 1UXG NAD 0.0102 0.41197 5.17799
164 2YC5 6BC 0.008563 0.41194 5.26316
165 3R35 4CO 0.01063 0.4035 5.29801
166 3PFG TLO 0.01095 0.41265 5.32319
167 3PFG SAM 0.01095 0.41265 5.32319
168 8CAT NDP 0.005432 0.40176 5.33597
169 1RYI GOA 0.004377 0.46428 5.34351
170 1PEA ACM 0.007637 0.42115 5.45455
171 3K5X P8D 0.0005373 0.42084 5.5
172 4F8L GAL 0.04161 0.40627 5.51724
173 3CL7 HYN 0.007129 0.40216 5.51948
174 2Q37 3AL 0.0006771 0.4466 5.52486
175 1SC3 MLI 0.01271 0.41079 5.68182
176 3NNF AKG 0.01005 0.40323 5.81395
177 5YAS FAC 0.001915 0.40122 5.83658
178 1Q3Q ANP 0.02976 0.40584 5.83942
179 1QRD DQN 0.01185 0.41221 5.86081
180 3SQG COM 0.01531 0.42127 5.87219
181 3MB5 SAM 0.01017 0.42174 5.88235
182 1YGC 905 0.003162 0.40886 5.90551
183 2C7G FAD 0.02369 0.40951 5.92105
184 2C7G ODP 0.02286 0.40951 5.92105
185 3S9K CIT 0.01976 0.42267 5.9322
186 1GSA ADP 0.002715 0.41507 6.01266
187 1GSA GSH 0.01113 0.41328 6.01266
188 3IOI 1GW 0.008356 0.40892 6.04027
189 1R37 NAD 0.01567 0.40012 6.05187
190 1OLS TDP 0.01303 0.41308 6.14035
191 4INB 1F6 0.001271 0.42386 6.16438
192 2OYS FMN 0.0008363 0.43277 6.19835
193 3R51 MMA 0.01709 0.41138 6.25
194 3WE0 FAD 0.008119 0.42086 6.25954
195 4LNL 2BK 0.003172 0.40264 6.30631
196 4LNL 2BO 0.003172 0.40264 6.30631
197 1H8P PC 0.01264 0.41781 6.42202
198 2NCD ADP 0.005082 0.41018 6.42857
199 1WGC SIA GAL BGC 0.005212 0.44523 6.43275
200 1I2B UPG 0.01419 0.4185 6.43564
201 1I2B USQ 0.01419 0.4185 6.43564
202 1I2B NAD 0.01419 0.4185 6.43564
203 4COQ SAN 0.006413 0.41168 6.47773
204 2HGZ PBF 0.0009179 0.43676 6.53595
205 1Y1A GSH 0.001337 0.4935 6.55738
206 3WBF API 0.003178 0.4271 6.55738
207 2BZ1 TAU 0.003591 0.46367 6.63265
208 1ULE GLA GAL NAG 0.002105 0.4473 6.66667
209 1I1Q TRP 0.004247 0.40272 6.73077
210 3FPZ AHZ 0.03726 0.41155 6.74847
211 3DDC GNP 0.005008 0.40967 6.74847
212 1Y9Q MED 0.00443 0.41862 6.77083
213 4N7C AEF 0.009634 0.40995 6.81818
214 2EWM NAD 0.003072 0.42513 6.82731
215 2V5E SCR 0.0005958 0.49327 6.93069
216 1ZJ6 G3D 0.002412 0.4023 6.95187
217 2VDJ HSE 0.003121 0.43932 6.97674
218 4LSJ LSJ 0.0008374 0.43274 6.97674
219 4M51 BEZ 0.001605 0.4528 7.02576
220 3SJ0 DXC 0.001126 0.45178 7.04225
221 1OTH PAO 0.005589 0.41596 7.16511
222 9LDT OXM 0.007269 0.43785 7.22892
223 9LDB NAD 0.001997 0.43263 7.22892
224 4GQB 0XU 0.02116 0.40956 7.26744
225 1FIQ FAD 0.00756 0.41303 7.30594
226 1FIQ MTE 0.006474 0.41088 7.30594
227 3CXO 3LR 0.008454 0.40494 7.46988
228 3CXO 1N5 0.01076 0.40329 7.46988
229 2GJ3 FAD 0.006912 0.41038 7.5
230 4EXO PYR 0.005137 0.42921 7.53425
231 4WBD CIT 0.007433 0.4217 7.57856
232 4WBD ADP 0.005693 0.42022 7.57856
233 1JAC AMG 0.004831 0.44691 8.27068
234 1XX4 BAM 0.001456 0.46361 8.42912
235 3BY8 MLT 0.003191 0.4315 8.4507
236 1BTN I3P 0.0002569 0.52898 8.49057
237 1OAA OAA 0.01453 0.41022 8.49421
238 2OX9 GAL NAG FUC 0.01934 0.42206 8.57143
239 1JIL 485 0.004807 0.40196 8.57143
240 3D3W NAP 0.002762 0.42956 8.60656
241 1PR9 NAP 0.01348 0.40167 8.60656
242 3VPD ANP 0.001764 0.4204 8.8968
243 3E81 SLB 0.007348 0.4035 9.14634
244 1JA9 NDP 0.02919 0.41221 9.48905
245 3U5S FAD 0.006019 0.40006 9.52381
246 1OIK C26 0.0001006 0.45814 9.63455
247 2D37 NAD 0.009472 0.40164 9.65909
248 2D37 FMN 0.008738 0.40164 9.65909
249 2D0V PQQ 0.0008855 0.42981 9.72222
250 2B82 ADN 0.002769 0.41293 9.95261
251 1D09 PAL 0.03518 0.42206 10.4575
252 1T0S BML 0.01789 0.4038 10.4651
253 1QO0 BMD 0.003449 0.42332 10.7143
254 1NZY BCA 0.004401 0.41481 10.7807
255 4G28 0W8 0.003607 0.40547 10.7843
256 1BGQ RDC 0.0006298 0.44653 11.1111
257 1ZZ7 S0H 0.001542 0.42555 11.1111
258 1TUV VK3 0.005845 0.43419 11.4035
259 2HW1 ANP 0.00471 0.40413 11.4094
260 2ALG HP6 0.002934 0.41197 11.9565
261 2ALG DAO 0.002934 0.41197 11.9565
262 2Q97 ATP 0.002834 0.41436 12.4031
263 3F81 STT 0.01563 0.4133 12.5683
264 1NU4 MLA 0.01075 0.42915 13.4021
265 4UBP HAE 0.004417 0.40429 13.8614
266 3I6B KDO 0.006578 0.40023 13.8889
267 1TU3 GNP 0.007147 0.40363 15.2047
268 1H8G CHT 0.003629 0.46343 15.7895
269 3WY2 BGC 0.002618 0.43903 15.9851
270 3AXI GLC 0.01833 0.40331 16.129
271 3GBE NOJ 0.001644 0.4862 18.2796
272 1OFH ADP 0.02658 0.40864 18.9655
273 3QP6 HL6 0.001158 0.40674 19.6226
274 1N9L FMN 0.0002625 0.40912 30.2752
275 4CCN OGA 0.002296 0.43095 37.1429
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