Receptor
PDB id Resolution Class Description Source Keywords
3LIH 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FRUCTOSYLTRANSFERASE (D191A) FROM A. JA COMPLEX WITH RAFFINOSE ASPERGILLUS JAPONICUS PROTEIN-OLIGOSACCHARIDE COMPLEX FIVE BLADED BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ASPERGILLUS JAPONICUS FRUCTOSYLTRANSFERASE COMPLEX WITH DONOR/ACCEPTOR SU REVEAL COMPLETE SUBSITES IN THE ACTIVE SITE FOR CAT J.BIOL.CHEM. V. 285 23251 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RAF A:654;
Valid;
none;
submit data
504.437 C18 H32 O16 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LIH 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FRUCTOSYLTRANSFERASE (D191A) FROM A. JA COMPLEX WITH RAFFINOSE ASPERGILLUS JAPONICUS PROTEIN-OLIGOSACCHARIDE COMPLEX FIVE BLADED BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ASPERGILLUS JAPONICUS FRUCTOSYLTRANSFERASE COMPLEX WITH DONOR/ACCEPTOR SU REVEAL COMPLETE SUBSITES IN THE ACTIVE SITE FOR CAT J.BIOL.CHEM. V. 285 23251 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3LIH - RAF C18 H32 O16 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - RAF C18 H32 O16 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - RAF C18 H32 O16 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RAF; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 RAF 1 1
2 FRU GLC GLA 1 1
3 SUC 0.736842 0.972973
4 GLC FRU 0.736842 0.972973
5 SWE 0.736842 0.972973
6 SUC GLA 0.710145 0.947368
7 GLC FRU FRU 0.651515 0.947368
8 SUP 0.594203 0.782609
9 MAN MMA 0.53125 0.846154
10 20S 0.52439 0.782609
11 MAN MAN MAN 0.523077 0.891892
12 GLC GLC GLC 0.523077 0.891892
13 GLC GLC GLC GLC BGC 0.523077 0.891892
14 GLC GLC GLC GLC GLC BGC 0.523077 0.891892
15 DQR 0.521127 0.947368
16 BMA GLA 0.515625 0.891892
17 GLA GLC 0.515625 0.891892
18 MLB 0.515625 0.891892
19 MAN BMA 0.515625 0.891892
20 GLA BMA 0.515625 0.891892
21 GLA BGC 0.515625 0.891892
22 BGC GLA 0.515625 0.891892
23 LAK 0.515625 0.891892
24 GAL GAL 0.515625 0.891892
25 FNY 0.486842 0.947368
26 NYT 0.486842 0.947368
27 GLC GLC GLC GLC 0.453333 0.891892
28 GLC GLC GLC BGC 0.448718 0.891892
29 AHR AHR AHR 0.439394 0.864865
30 FUB AHR AHR 0.439394 0.864865
31 FUB AHR 0.4375 0.864865
32 AHR AHR 0.4375 0.864865
33 MAN MAN MAN MAN 0.417722 0.891892
34 MAN MAN BMA MAN 0.417722 0.891892
35 MAN MMA MAN 0.415584 0.846154
36 WZ2 0.407407 0.785714
37 GLC GLC GLC GLC GLC GLC 0.405063 0.891892
38 GLC GLC FRU 0.404762 0.973684
39 MAN H1M MAN 0.402439 0.785714
40 AGR 0.4 0.804348
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LIH; Ligand: RAF; Similar sites found: 240
This union binding pocket(no: 1) in the query (biounit: 3lih.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02955 0.42208 None
2 1PTR PRB 0.01871 0.4049 None
3 1ECM TSA 0.00813 0.40014 None
4 1KC7 PPR 0.002026 0.44947 1.1041
5 2ZWS PLM 0.01532 0.43787 1.1041
6 1PX8 XYP 0.0006261 0.45776 1.2
7 1E5F PLP 0.002651 0.40102 1.23762
8 1Q3Q ANP 0.0009716 0.45192 1.27737
9 2VJJ RAM GLC GAL NAG NAG GLC 0.002261 0.43226 1.33333
10 2V7T SAH 0.03048 0.40696 1.33779
11 4HA6 PXM 0.01041 0.40545 1.37795
12 2C31 ADP 0.009636 0.42047 1.40845
13 1R6W 164 0.001596 0.40883 1.41956
14 9LDT OXM 0.02401 0.41904 1.50602
15 9LDB OXM 0.02524 0.41789 1.50602
16 3ZPG 5GP 0.02201 0.41386 1.57068
17 1RZM E4P 0.006785 0.42528 1.57729
18 3CBG FER 0.002664 0.45981 1.72414
19 3I6B KDO 0.00438 0.41606 1.73502
20 4C2G ALA ALA ALA ALA 0.006039 0.40532 1.79372
21 3FPZ AHZ 0.02584 0.40619 1.84049
22 2W3L DRO 0.02008 0.41587 2.08333
23 2HGS ADP 0.00143 0.408 2.1097
24 1Y2W NAG 0.01767 0.40059 2.11268
25 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003134 0.41887 2.11538
26 2Y6P CTP 0.004683 0.40497 2.13675
27 4NAO AKG 0.01473 0.40972 2.14724
28 4USS GSH 0.006034 0.41029 2.15385
29 1T26 NAI 0.01617 0.42029 2.17391
30 1T26 GBD 0.01617 0.42029 2.17391
31 2C5S AMP 0.002373 0.42158 2.17918
32 3P7I P7I 0.006924 0.40782 2.18069
33 1A5Z OXM 0.01072 0.4225 2.19436
34 3ZGE ASP 0.005754 0.43548 2.2082
35 4N7C AEF 0.01709 0.40672 2.27273
36 4CCO OGA 0.006912 0.40785 2.35546
37 4HZX G39 0.002039 0.42478 2.36593
38 1Z42 HBA 0.04209 0.41074 2.36686
39 1Z44 FMN 0.003162 0.40248 2.36686
40 2R00 OEG 0.002455 0.44564 2.38095
41 3IHB TRS 0.005214 0.43982 2.41228
42 3IHB GLU 0.0181 0.40556 2.41228
43 1HFA PIO 0.04751 0.40153 2.42215
44 4WVH ASP HIS ASP ALA HIS ALA 0.008125 0.40015 2.43902
45 3NFZ 3NF 0.003071 0.40738 2.44648
46 2Q3M MLA 0.0285 0.40818 2.45399
47 1YOE RIB 0.006766 0.40334 2.48447
48 2ZJ5 ADP 0.005773 0.41645 2.52366
49 1GSA ADP 0.0004741 0.45691 2.53165
50 2B7N NTM 0.01231 0.40232 2.5641
51 1PEA ACM 0.02946 0.40129 2.5974
52 1ULE GLA GAL NAG 0.003028 0.44884 2.68139
53 2HEK GDP 0.002067 0.41876 2.69542
54 1F1V DHY 0.005542 0.40682 2.78638
55 1XMV ADP 0.008341 0.4116 2.80899
56 2XDQ MGX 0.00593 0.44244 2.82609
57 2JC9 ADN 0.008581 0.40395 2.83912
58 1TDF FAD 0.004121 0.42008 2.8481
59 1TDF NAP 0.01339 0.41469 2.8481
60 2WQP WQP 0.003425 0.40145 2.86533
61 3MAG 3MA 0.02486 0.41824 2.9316
62 2Q8H TF4 0.00393 0.45137 2.9484
63 4M5P MLA 0.03773 0.40864 2.9484
64 1ZZ7 S0H 0.006203 0.4098 3.0303
65 3MCT 3MC 0.007184 0.40715 3.0303
66 1G8S MET 0.00915 0.41333 3.04348
67 1R27 MGD 0.004063 0.41039 3.125
68 3DX5 DHB 0.002349 0.4166 3.14685
69 4O8A 2OP 0.009418 0.43238 3.15457
70 3BK2 U5P 0.004635 0.40065 3.20285
71 1Q11 TYE 0.002833 0.4239 3.22581
72 1P72 THM 0.0006853 0.4494 3.29341
73 4R33 TRP 0.00157 0.42189 3.33333
74 4R33 SAH 0.00157 0.42189 3.33333
75 3W54 RNB 0.0009323 0.42185 3.34347
76 3BRE C2E 0.01744 0.40084 3.35196
77 2YIV NBN 0.005961 0.42788 3.35366
78 4OYA 1VE 0.01511 0.42326 3.40426
79 3QV9 QV7 0.00965 0.40687 3.40681
80 2Y0I AKG 0.005802 0.41635 3.40909
81 1YFZ IMP 0.01263 0.40184 3.41463
82 3P3N AKG 0.004404 0.42746 3.4384
83 2XUM OGA 0.005428 0.42342 3.4384
84 4B7E OGA 0.005596 0.41703 3.4384
85 2WA4 069 0.002531 0.41054 3.4384
86 4LIT AKG 0.00134 0.44362 3.4398
87 2QJN KDG 0.001512 0.41419 3.48259
88 4LSJ LSJ 0.0009058 0.41288 3.48837
89 4RJK PYR 0.02437 0.40529 3.50263
90 2BO4 FLC 0.006613 0.4258 3.52645
91 3HZL 6PC 0.0186 0.41754 3.52645
92 1WDA BAG 0.002354 0.42172 3.58209
93 2HXT EHM 0.0006569 0.4274 3.62812
94 3VSS FRU 0.0001631 0.41941 3.62903
95 1C3V PDC 0.0002969 0.47162 3.67347
96 5DRN 5CT 0.01443 0.42678 3.7037
97 2YLD CMO 0.007308 0.41768 3.93701
98 2YFT DQR 0.0001622 0.4594 3.94322
99 1Z45 GAL 0.01028 0.40069 3.94322
100 2V5E SCR 0.007053 0.44699 3.9604
101 2CW6 3HG 0.01294 0.42547 4.02685
102 2XVE FAD 0.004176 0.42996 4.09483
103 3JQ3 ADP 0.002994 0.41252 4.09836
104 4EXO PYR 0.01653 0.41343 4.10959
105 4ME6 ADP 0.007804 0.41083 4.14508
106 1T3D CYS 0.004906 0.43178 4.15225
107 1DXY COI 0.02283 0.41305 4.2042
108 2HGZ PBF 0.001929 0.40701 4.24837
109 2Y7G AAE 0.001997 0.40539 4.25532
110 4IV9 TSR 0.02689 0.41052 4.25868
111 3DER ALA LYS 0.0003206 0.41231 4.34783
112 1Y1A GSH 0.01487 0.43845 4.37158
113 2ZO9 MLI 0.004629 0.40289 4.37956
114 1H16 PYR 0.009698 0.42459 4.4164
115 1BGQ RDC 0.0009336 0.42131 4.44444
116 3GEG NAD 0.004089 0.40019 4.45344
117 3K5X P8D 0.004754 0.40472 4.5
118 1EDO NAP 0.006766 0.42548 4.5082
119 3AYS CT3 0.001573 0.42336 4.52128
120 4WBD CIT 0.01312 0.41827 4.57413
121 4WBD ADP 0.01038 0.41676 4.57413
122 2Y7P SAL 0.008563 0.40399 4.58716
123 5EQU AKG 0.02886 0.40172 4.59016
124 1QO0 BMD 0.01625 0.40221 4.59184
125 4W6Z ETF 0.01346 0.41774 4.61095
126 2YVF FAD 0.01127 0.4122 4.65686
127 2YVF NAD 0.0117 0.4122 4.65686
128 1KTC NGA 0.005129 0.41322 4.69136
129 1PT2 SUC 0.0003388 0.47696 4.69799
130 2ADD SUC 0.0001269 0.51727 4.73186
131 1I0Z OXM 0.02789 0.40866 4.8048
132 4KGM ATP 0.004296 0.40189 4.89796
133 3CEV ARG 0.001256 0.43264 5.01672
134 4N02 FNR 0.004162 0.4241 5.04732
135 3CXO 1N5 0.002118 0.41455 5.06024
136 4DN8 BMA 0.01182 0.40839 5.12821
137 4M51 BEZ 0.0073 0.43052 5.15223
138 2NLI LAC 0.002032 0.44089 5.16304
139 2NLI FMN 0.01322 0.40744 5.16304
140 2YD6 FLC 0.006179 0.46775 5.18868
141 1D09 PAL 0.004812 0.44681 5.22876
142 4B16 NAG 0.009233 0.44086 5.26316
143 2XK9 XK9 0.001728 0.42164 5.2795
144 4M7F BM3 0.002876 0.42363 5.30973
145 1EYE PMM 0.003369 0.40587 5.35714
146 2BLE 5GP 0.008482 0.41641 5.44959
147 2F01 BTQ 0.01319 0.41202 5.51181
148 2F01 BTN 0.0147 0.41012 5.51181
149 4CCN OGA 0.01118 0.40947 5.71429
150 2JBH 5GP 0.004474 0.41054 5.77778
151 3QQA TCH 0.001453 0.40777 6.01852
152 4HGP KDO 0.004044 0.40933 6.11111
153 3R51 MMA 0.009801 0.43151 6.25
154 3GM5 CIT 0.0009668 0.45667 6.28931
155 3QDW A2G 0.007002 0.43883 6.29371
156 3QDY A2G GAL 0.005799 0.43531 6.29371
157 3QDT A2G GAL 0.007562 0.42978 6.29371
158 3QDW NDG 0.007024 0.42459 6.29371
159 3QDY CBS 0.01352 0.41145 6.29371
160 1H8G CHT 0.004217 0.46868 6.31579
161 1QY1 PRZ 0.0002608 0.41397 6.32184
162 1H8P PC 0.0227 0.41317 6.42202
163 2Q1A 2KT 0.01082 0.41009 6.48464
164 2YBQ UP2 0.006096 0.4039 6.50685
165 1JGS SAL 0.001407 0.4948 6.52174
166 5DUB GLY 5GG GLY ALA 0.03252 0.40216 6.54206
167 3F81 STT 0.02875 0.40181 6.55738
168 2VMD MBG 0.021 0.41488 6.61479
169 3L24 GOA 0.003609 0.45323 6.62461
170 2DVZ GLU 0.004641 0.40512 6.6879
171 3BHO B4P 0.03526 0.4102 6.73077
172 1ZED PNP 0.007759 0.42259 6.81818
173 1B8U OAA 0.004708 0.40333 6.99088
174 4TMK T5A 0.01124 0.43238 7.04225
175 1JN2 SFP 0.00377 0.4845 7.173
176 3H86 AP5 0.01057 0.40401 7.29167
177 2VQ5 HBA 0.01403 0.4107 7.46269
178 2VQ5 LDP 0.03787 0.40192 7.46269
179 3UEC ALA ARG TPO LYS 0.001806 0.45178 7.53425
180 1BTN I3P 0.009163 0.45082 7.54717
181 2BZ1 TAU 0.005842 0.4609 7.65306
182 3VPQ GSH 0.002923 0.42911 7.84314
183 4FGC PQ0 0.006436 0.41442 7.87879
184 1Y7P RIP 0.01022 0.42349 8.07175
185 2P69 PLP 0.01316 0.40108 8.16993
186 1T0S BML 0.0001573 0.51034 8.18182
187 3UDG TMP 0.02137 0.4145 8.30565
188 3CF6 SP1 0.002651 0.40102 8.38323
189 3BY8 MLT 0.01521 0.40908 8.4507
190 2JGS BTN 0.005007 0.41633 8.46154
191 1Y75 NAG 0.004557 0.41023 8.47458
192 2YDW WSH 0.00532 0.40282 8.49673
193 3GJB AKG 0.004227 0.41153 9.09091
194 5D6C 57S 0.0307 0.40655 9.09091
195 1XX4 BAM 0.02479 0.41125 9.1954
196 2QLX RM4 0.01411 0.41058 9.25926
197 1NU4 MLA 0.002408 0.48202 9.27835
198 1XE7 GUN 0.03483 0.40376 9.35961
199 1GU3 BGC BGC BGC BGC BGC 0.005566 0.41175 9.39597
200 3U7Y FLC 0.005074 0.46265 9.52381
201 1NVU GTP 0.004664 0.42373 9.63855
202 3TKA CTN 0.00003147 0.58417 9.79827
203 1WHT BZS 0.005816 0.42209 9.80392
204 4ODV GP1 Z9M 0.02529 0.42583 10.2326
205 3WUD GLC GAL 0.00731 0.43049 10.2941
206 1JAC AMG 0.004548 0.45696 10.5263
207 4F4S EFO 0.005225 0.41289 10.5263
208 1XHL NDP 0.004271 0.40487 10.7744
209 1W2T SUC GLA 0.00002731 0.52837 11.1111
210 1SS4 GSH 0.001579 0.49994 11.1111
211 1SS4 CIT 0.001242 0.46789 11.1111
212 4JCA CIT 0.01195 0.43499 11.3772
213 2XI7 XI7 0.008267 0.45262 11.413
214 1H2M OGA 0.004677 0.42629 11.5385
215 2X2T GAL NGA 0.02557 0.41056 11.7647
216 3EW2 BTN 0.006889 0.40302 12.5926
217 1V7R CIT 0.02362 0.41941 12.9032
218 3PIJ FRU 0.000001365 0.61719 13.4981
219 1S8F GDP 0.001191 0.41797 13.5593
220 2VAR KDG 0.003764 0.40405 13.738
221 2VAR KDF 0.00422 0.40219 13.738
222 1H9G COA MYR 0.00181 0.4112 13.9918
223 3S9K CIT 0.001637 0.49674 14.4068
224 3KF3 FRU 0.000108 0.49066 14.5383
225 1H2K OGA 0.005786 0.42219 14.6341
226 1DL7 NCH 0.03197 0.42018 14.6789
227 1TUV VK3 0.02757 0.40891 14.9123
228 4F8L GAL 0.02678 0.42445 15.1724
229 1NP0 NGT 0.009534 0.41254 15.5172
230 1SC3 MLI 0.003551 0.44553 15.9091
231 1Y9G FRU 0.00001066 0.57187 15.9306
232 1FIQ SAL 0.003791 0.40674 16.5714
233 1C1L GAL BGC 0.002107 0.4487 16.7883
234 2DTJ THR 0.005318 0.40283 17.4157
235 3KJQ B94 0.000949 0.42657 17.8947
236 2WGC SIA GAL BGC 0.002004 0.48639 18.7134
237 1WGC SIA GAL BGC 0.006636 0.44837 18.7134
238 2QCX PF1 0.005438 0.41756 22.4335
239 3T2W BTN 0.00112 0.42908 25.4098
240 1O9U ADZ 0.00391 0.45149 33.3333
Pocket No.: 2; Query (leader) PDB : 3LIH; Ligand: RAF; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 3lih.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TVD GLC 0.02972 0.40309 1.26183
2 5JOX EDG 0.01754 0.40409 1.55039
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