-->
Receptor
PDB id Resolution Class Description Source Keywords
5XHA 2.1 Å EC: 7.-.-.- ASPERGILLUS KAWACHII BETA-FRUCTOFURANOSIDASE COMPLEXED WITH ASPERGILLUS KAWACHII (STRAIN NBRC 4308ORGANISM_COMMON: WHITE KOJI MOLD FRUCTOOLIGOSACCHARIDES 1-KESTOSE GH32 BETA-PROPELLER HYD
Ref.: CRYSTAL STRUCTURE OF A BETA-FRUCTOFURANOSIDASE WITH TRANSFRUCTOSYLATION ACTIVITY FROM ASPERGILLUS KAWAC BIOSCI. BIOTECHNOL. BIOCHEM. V. 81 1786 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRU FRU A:702;
Valid;
none;
submit data
342.297 n/a O(CC1...
FRU A:704;
A:705;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NA A:701;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XHA 2.1 Å EC: 7.-.-.- ASPERGILLUS KAWACHII BETA-FRUCTOFURANOSIDASE COMPLEXED WITH ASPERGILLUS KAWACHII (STRAIN NBRC 4308ORGANISM_COMMON: WHITE KOJI MOLD FRUCTOOLIGOSACCHARIDES 1-KESTOSE GH32 BETA-PROPELLER HYD
Ref.: CRYSTAL STRUCTURE OF A BETA-FRUCTOFURANOSIDASE WITH TRANSFRUCTOSYLATION ACTIVITY FROM ASPERGILLUS KAWAC BIOSCI. BIOTECHNOL. BIOCHEM. V. 81 1786 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5XHA - FRU C6 H12 O6 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 237 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 187 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: FRU FRU; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 1 1
3 0UB 0.934783 1
4 SF6 0.511111 0.888889
5 FRU 0.511111 0.888889
6 SF9 0.511111 0.888889
7 PSV 0.511111 0.888889
8 LFR 0.511111 0.888889
9 TA6 0.490566 0.755556
10 F6P 0.490566 0.755556
Ligand no: 2; Ligand: FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 SF9 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 FRU FRU 0.511111 0.888889
9 LBS 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XHA; Ligand: FRU; Similar sites found with APoc: 41
This union binding pocket(no: 1) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1I00 UMP 2.06897
2 1I00 D16 2.06897
3 4E5N NAD 2.12121
4 1JGT APC 2.14425
5 3NYQ MCA 2.17822
6 3NYQ AMP 2.17822
7 4ZSY RW2 2.38612
8 3VZS NAP 2.72374
9 1EZ0 NAP 2.7451
10 3ITJ FAD 2.95858
11 4DBH OXL 3.125
12 3GDN FAD 3.1405
13 2GCG NDP 3.33333
14 2PWY SAH 3.48837
15 5XFV FMN 3.59281
16 5XNC N4P 3.77358
17 5D63 FUC GAL GLA 4.09556
18 5D63 FUC GLA GLA 4.09556
19 5OCG 9R5 4.2328
20 6FFI D8B 4.27928
21 4H8N NDP 4.51613
22 6FA4 D1W 4.62428
23 2RAB FAD 4.75162
24 1Q5D EPB 4.77327
25 5XVR TRH 4.94792
26 2C29 NAP 5.04451
27 2F9L GDP 5.52764
28 4ZU3 4SD 6.1674
29 3QDW A2G 6.29371
30 3QDV A2G 6.29371
31 3QDY A2G GAL 6.29371
32 3QDT A2G GAL 6.29371
33 3QDX A2G GAL 6.29371
34 4IMG NGF 6.48464
35 5W75 SUC 7.14286
36 2OFD NGA 7.74648
37 1O94 ADP 9.84848
38 1RM6 PCD 10.559
39 6FOG OXL 10.7143
40 1CZR FMN 15.3846
41 1RPN GDP 18.209
Pocket No.: 2; Query (leader) PDB : 5XHA; Ligand: FRU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5XHA; Ligand: FRU FRU; Similar sites found with APoc: 26
This union binding pocket(no: 3) in the query (biounit: 5xha.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z5I FUB 1.4733
2 5Z5I XYS 1.4733
3 3VSS FRU 2.01613
4 2YFT DQR 2.10158
5 3W8X FTK 2.13675
6 3A72 AHR AHR 2.25352
7 4D1J DGJ 2.40741
8 4CPZ ZMR 2.7897
9 1FDQ HXA 3.81679
10 1DNP FAD 3.82166
11 5GLN XYP XYP XYP 4.06977
12 5GLN XYS 4.06977
13 5JOX EDG 4.26357
14 6A8H AHR AHR AHR 4.36137
15 2E40 LGC 5.16129
16 1PT2 SUC 7.38255
17 5N87 N66 7.66773
18 4N2R FUB 8.38323
19 4N2R AHR 8.38323
20 6DWI HD4 9.01288
21 3KF3 FRU 15.5206
22 2ADD SUC 15.8379
23 4IJ6 SEP 20.8531
24 1W2T SUC GLA 30.5556
25 3PIJ FRU 35.1711
26 1Y9G FRU 40.5405
Pocket No.: 4; Query (leader) PDB : 5XHA; Ligand: FRU; Similar sites found with APoc: 333
This union binding pocket(no: 4) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZZQ TRP None
2 3NJ4 NAD 0.91954
3 3KJS DQ1 1.15163
4 3KJS NAP 1.15163
5 1R9J TPP 1.15702
6 5YSS NAD 1.17188
7 2QBU SAH 1.2931
8 3ULK NDP 1.42566
9 3V4S ADP 1.55039
10 6C4T NA7 1.55556
11 2WTX UDP 1.68776
12 2WTX VDO 1.68776
13 3ETH ATP 1.69014
14 2PZI AXX 1.76211
15 5LRT ADP 1.77165
16 6DEF GCP 1.79028
17 2OFV 242 1.80505
18 3X44 PUS 1.80723
19 2WKQ FMN 1.80723
20 4X7R 3YW 1.82556
21 1REO FAD 1.85185
22 1E7S NAP 1.86916
23 2ZWI C5P 1.87668
24 1M5B BN1 1.90114
25 1ZEM NAD 1.9084
26 1FL2 FAD 1.93548
27 5MLR GRQ 1.94647
28 5MLR NAP 1.94647
29 4IOK ADP 1.9678
30 4IOK XPO 1.9678
31 3SJ7 NDP 1.98413
32 5DX0 SFG 2.00573
33 3KDN CAP 2.02703
34 1JQ3 AAT 2.02703
35 5A04 NDP 2.0649
36 5A04 BGC 2.0649
37 3GDH SAH 2.07469
38 2OJW ADP 2.08333
39 2HQM FAD 2.08768
40 5KOR GDP 2.11132
41 4EUE NAI 2.15311
42 3ZKK XYP XYP XYP XYP 2.17918
43 6EAC ANP 2.2541
44 1VCE SAH 2.26415
45 5EJ2 NAD 2.27273
46 3B9O FMN 2.27273
47 3MKH FAD 2.28311
48 1U1I NAD 2.29592
49 2Q3O FMN 2.30179
50 3TKA SAM 2.30548
51 4KRI SAH 2.30947
52 1PN0 FAD 2.31405
53 1PN0 IPH 2.31405
54 5YU3 PRO 2.32558
55 5YU3 NAD 2.32558
56 3T50 FMN 2.34375
57 1PZ1 NAP 2.4024
58 1PJS SAH 2.407
59 2IID PHE 2.40964
60 2IID FAD 2.40964
61 2VVL FAD 2.42424
62 5TTJ FAD 2.44898
63 5J60 FAD 2.5
64 4XQC NAD 2.52632
65 3DRW AMP 2.53165
66 1YFS ALA 2.58065
67 1UJP CIT 2.58303
68 5NKB 8ZT 2.61438
69 4U7W NDP 2.61905
70 2Y5D NAP 2.62172
71 1E5Q NDP 2.66667
72 3G2O SAM 2.67559
73 5Y72 DST 2.68657
74 3QT6 2P0 2.71084
75 6F3G CJN 2.71186
76 2C0U FAD NBT 2.73349
77 1LDM NAD 2.73556
78 4TQG NDP 2.78638
79 1TED MYR 2.79898
80 5USZ SKE 2.80992
81 2R5N TPP 2.80992
82 2R5N RP5 2.80992
83 1RM0 NAI 2.81426
84 1RM0 D6P 2.81426
85 1KEV NDP 2.849
86 4M7V NAP 2.85714
87 4M7V RAR 2.85714
88 3KO8 NAD 2.88462
89 5VCV 1N1 2.89389
90 3QJ4 FAD 2.92398
91 3D9F N6C 2.96804
92 3D9F FAD 2.96804
93 4PIV NDP 2.97521
94 1GTE FAD 2.97521
95 4GKV NAD 2.97619
96 1KEW TYD 3.04709
97 5OJI NAP 3.07692
98 5OJI ISN 3.07692
99 5OCM NAP 3.09278
100 1TE2 PGA 3.09735
101 2PT9 S4M 3.11526
102 1AOE NDP 3.125
103 1AOE GW3 3.125
104 1RP0 AHZ 3.16901
105 5JGA 6KC 3.1746
106 1G0N NDP 3.18021
107 1OZH HE3 3.18021
108 5HW4 SAM 3.22581
109 3VPH NAD 3.22581
110 1I7L ATP 3.23625
111 1PR9 NAP 3.27869
112 3D3W NAP 3.27869
113 4BVA NDP 3.28358
114 4BVA T3 3.28358
115 4C8E C5P 3.2967
116 2QHV OC9 3.33333
117 3SSO SAH 3.34129
118 4GCZ FMN 3.37662
119 3KLJ FAD 3.37662
120 4R84 CSF 3.37972
121 1BXK NAD 3.38028
122 1QB7 ADE 3.38983
123 6F3N ADN 3.38983
124 6F3N NAD 3.38983
125 3H5N ATP 3.39943
126 3HGM ATP 3.40136
127 5UAV NDP 3.41615
128 5UAV TFB 3.41615
129 5JFL NAD 3.43511
130 3OCZ SRA 3.43511
131 1QY1 PRZ 3.44828
132 3H2B SAH 3.44828
133 3K5I AIR 3.47395
134 3K5I ADP 3.47395
135 4IWN GEK 3.49345
136 2EG5 SAH 3.49462
137 2Z4T C5P 3.50195
138 3VRY B43 3.52423
139 5ZBC FAD 3.54767
140 2XWL CTP 3.58744
141 1PJ6 FOL 3.63636
142 2JAH NDP 3.64372
143 3A4T SFG 3.64964
144 6GQM F8H 3.65854
145 2XVF FAD 3.66379
146 1ZBQ NAD 3.66972
147 4CQM NAP 3.68852
148 4WKB TDI 3.68852
149 1VKO NAD 3.72439
150 3SXS PP2 3.73134
151 5GSN FAD 3.75276
152 3CTY FAD 3.76176
153 1GZ6 NAI 3.76176
154 5XNC MTA 3.77358
155 5G3U ITW 3.78251
156 5G3U FDA 3.78251
157 6ECU SAH 3.79747
158 1GQG DCD 3.80165
159 6ECW SAH 3.80952
160 2WEI VGG 3.83275
161 4I42 1HA 3.85965
162 3L9W FMN 3.87409
163 2XVE FAD 3.87931
164 3T1A 5MA 3.90764
165 5LS7 ACO 3.92157
166 2X6T NAP 3.92157
167 2X6T ADP BMA 3.92157
168 4HIA FMN 3.97727
169 2CFC NAD 4
170 5OVL NAP 4
171 2RHO GDP 4
172 5U5G NAP 4.0678
173 3QWI CUE 4.07407
174 3QWI NAP 4.07407
175 2RDT FMN 4.13437
176 5DKK FMN 4.13793
177 1XTT U5P 4.16667
178 1GY8 NAD 4.28212
179 2H8H H8H 4.29907
180 4R81 FMN 4.36893
181 3FWN ATR 4.375
182 5SVV FMN 4.37956
183 3BBH SFG 4.39024
184 2CIG 1DG 4.40252
185 1GT4 UNA 4.40252
186 2PS1 PRP 4.42478
187 2PS1 ORO 4.42478
188 4USQ FAD 4.43213
189 3VC1 SAH 4.48718
190 3VC1 GST 4.48718
191 4L8F MTX 4.48718
192 5VC5 96M 4.49827
193 3EWP APR 4.51977
194 1WNG SAH 4.5283
195 2PR5 FMN 4.54545
196 6BWL NAD 4.57317
197 2Z6D FMN 4.61538
198 2QHS OCA 4.64135
199 2Z6C FMN 4.65116
200 1N1D C2G 4.65116
201 2V6G NAP 4.67033
202 4PVD NDP 4.67836
203 2WSB NAD 4.72441
204 3ZXR IQ1 4.73251
205 3ZXR P3S 4.73251
206 1D1G NDP 4.7619
207 6GBV FMN 4.79452
208 4OR7 NAP 4.84848
209 5ULP KB1 4.85075
210 2HJR APR 4.87805
211 3S6X SIA GAL BGC 4.92308
212 3IA4 NDP 4.93827
213 2I7C AAT 4.947
214 2W9S NDP 4.96894
215 5F7N NAG GAL FUC FUC A2G 5
216 3DLG GWE 5
217 1J3I WRA 5
218 5F7Y GLC GAL NAG GAL FUC A2G 5
219 2E0N SAH 5.01931
220 2BW7 ECS 5.02283
221 1P1C SAH 5.02513
222 6D5X ATP 5.10204
223 2YY7 NAD 5.12821
224 5THQ NDP 5.14706
225 1V2X SAM 5.15464
226 1EQ2 NAP 5.16129
227 4Y7U 2KH 5.19481
228 1VM6 NAD 5.26316
229 5D48 L96 5.26316
230 2TPS TPS 5.28634
231 2AK3 AMP 5.30973
232 2YG3 FAD 5.51876
233 1O44 852 5.55556
234 4CRZ ACO 5.59441
235 4V3C C 5.6701
236 1VDC FAD 5.70571
237 4R38 RBF 5.71429
238 2YBQ UP2 5.82192
239 2YBQ SAH 5.82192
240 1G51 AMO 5.86207
241 3PA8 621 5.90551
242 2HK5 1BM 5.92593
243 1YNQ NDP 5.99369
244 4ZRN UPG 6.08974
245 4ZRN NAD 6.08974
246 1XG5 NAP 6.09319
247 5JKG 6LF 6.10932
248 3VHE 42Q 6.12813
249 2V0U FMN 6.16438
250 4ASE AV9 6.23229
251 3BXF FBP 6.27451
252 3BXF 13P 6.27451
253 1QMG APX 6.29771
254 2BL9 NDP 6.30252
255 2BL9 CP6 6.30252
256 3H0L ADP 6.38298
257 2DTX BMA 6.43939
258 4R1S NAP 6.52819
259 2CVZ NDP 6.57439
260 3EXS 5RP 6.78733
261 1YKF NAP 6.81818
262 4ZCC FAD 6.84524
263 4URF NAD 6.85484
264 3IAL PR8 6.94981
265 4O9S 2RY 6.97674
266 1WG8 SAM 7.01754
267 5DXV NAP 7.05128
268 5H2U 1N1 7.11611
269 2HSA FMN 7.21393
270 1EDO NAP 7.37705
271 4QTU SAM 7.40741
272 2WD7 NAP 7.46269
273 5VJN ADE 7.48663
274 2IHK CSF 7.5188
275 3ORQ ADP 7.69231
276 5Z2L NDP 7.7551
277 1N07 ADP 7.97546
278 2JJK R15 7.98817
279 5DJU FMN 8.19672
280 6F5Z SAH 8.19672
281 3OII SAH 8.3004
282 5CIC 51R 8.33333
283 5MGZ SAH 8.47458
284 3JDW ORN 8.51064
285 2XNJ NAP 8.64662
286 2CHT TSA 8.66142
287 4TL6 ANP 8.69565
288 3RG9 NDP 8.75
289 3RG9 WRA 8.75
290 4D9M 0JO 8.79397
291 2YX1 SFG 8.92857
292 4KM2 ATR 8.93855
293 4KM2 TOP 8.93855
294 5GM1 SAH 9.09091
295 1N9L FMN 9.17431
296 2TPI ILE VAL 9.60699
297 9LDB NAD 9.63855
298 1LLU NAD 9.64912
299 1Q6O LG6 9.72222
300 5LXT GTP 9.79021
301 5DJT FMN 9.83607
302 5A0R ACE GLU VAL ASN PRO 10.101
303 4UP3 FAD 10.1911
304 5TS5 FAD 10.3306
305 1H5Q NAP 10.566
306 5MJA 7O3 10.8197
307 3P7N FMN 10.8527
308 4CM9 NAP 11.1111
309 4CLR NAP 11.1111
310 3JQ9 NAP 11.1111
311 3BMQ NAP 11.1111
312 4CMI NAP 11.1111
313 3JQF NAP 11.1111
314 3BMN NAP 11.1111
315 4CLO NAP 11.1111
316 3A28 NAD 11.6279
317 4MP8 MLI 12.0944
318 4MP8 NAD 12.0944
319 6FCH PRP 12.3596
320 3A4V PYR 12.6183
321 3A4V NAD 12.6183
322 5EFW FMN 13.3333
323 2FXV 5GP 13.4021
324 4QC6 30N 14.5251
325 4FZV SAM 14.6444
326 5DYO FLU 14.6789
327 5AHW CMP 14.966
328 6AA8 NAD 17.5497
329 2DYS PEK 20.5479
330 2DYR PEK 20.5479
331 5ZCO PEK 20.5479
332 5Z84 PEK 20.5479
333 1DZK PRZ 27.3885
Pocket No.: 5; Query (leader) PDB : 5XHA; Ligand: FRU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback