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 O1C(O...
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 250 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 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: FRU FRU; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU FRU 1 1
2 LBS 0.555556 1
3 0UB 0.526316 1
4 F1X 0.480769 0.755556
5 SF9 0.466667 0.888889
6 PSV 0.466667 0.888889
7 FRU 0.466667 0.888889
8 SF6 0.466667 0.888889
9 LFR 0.466667 0.888889
10 DQR 0.453125 0.921053
11 FNY 0.42029 0.921053
12 NYT 0.42029 0.921053
13 GLC FRU FRU 0.402985 0.921053
Ligand no: 2; Ligand: FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LFR 1 1
2 SF6 1 1
3 FRU 1 1
4 SF9 1 1
5 PSV 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 LBS 0.511111 0.888889
9 F1X 0.487805 0.744186
10 LRH 0.484848 0.882353
11 0UB 0.479167 0.888889
12 FRU FRU 0.466667 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5xha.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5XHA; Ligand: FRU FRU; Similar sites found: 91
This union binding pocket(no: 2) in the query (biounit: 5xha.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJK PYR 0.02197 0.41909 1.22592
2 1Q0H NDP 0.0109 0.42293 1.23153
3 3ZPG 5GP 0.01747 0.40863 1.3089
4 2ZWS PLM 0.01741 0.42453 1.32231
5 1YBH FAD 0.01959 0.40493 1.35593
6 4HA6 FAD 0.02578 0.40331 1.37795
7 2HGS ADP 0.004931 0.40957 1.47679
8 1TB4 PEJ 0.01043 0.40668 1.61725
9 1E7S NAP 0.007714 0.41456 1.86916
10 1M5B BN1 0.03491 0.40625 1.90114
11 1H2B NAJ 0.003922 0.42798 1.94986
12 1PEA ACM 0.006381 0.42236 2.07792
13 2YFT DQR 0.001481 0.41997 2.10158
14 4M5P MLA 0.01184 0.42466 2.2113
15 1Z44 NPO 0.01031 0.4367 2.36686
16 2IXB A2G 0.01877 0.40477 2.47748
17 2IXB NAD 0.01242 0.40477 2.47748
18 3WBF API 0.0173 0.40109 2.62295
19 2AEB ABH 0.0102 0.40166 2.79503
20 3I28 34N 0.01844 0.41212 2.88288
21 2J7T 274 0.002582 0.4302 2.98013
22 4DQ2 BTX 0.005317 0.41738 3.04878
23 1SOW NAD 0.01483 0.40275 3.04878
24 3Q9T FAY 0.01959 0.40398 3.11958
25 1GSA ADP 0.01092 0.4229 3.16456
26 1G0N NDP 0.01649 0.40717 3.18021
27 1G0N PHH 0.02185 0.4047 3.18021
28 5CG1 NAD BBN 0.01221 0.40258 3.27869
29 4GYW UDP 0.01404 0.40374 3.30579
30 3FW3 GLC 0.008062 0.45993 3.38346
31 3QV9 QV7 0.007192 0.40147 3.40681
32 3HY3 10F 0.006612 0.40616 3.44828
33 2VAR ANP 0.007648 0.40032 3.51438
34 1R6D NAD 0.0414 0.40094 3.56083
35 1R6D DAU 0.03999 0.40094 3.56083
36 1FIQ FAD 0.01629 0.40328 3.65297
37 1FIQ SAL 0.01469 0.40293 3.65297
38 1V7R CIT 0.02456 0.40848 3.76344
39 1KYV RBF 0.005098 0.40154 3.77358
40 3F3E LEU 0.016 0.40674 3.85356
41 2XVE FAD 0.009856 0.43359 3.87931
42 3T1A 5MA 0.004011 0.40759 3.90764
43 2YLD CMO 0.005354 0.4126 3.93701
44 1VQ2 DDN 0.0006528 0.43593 4.14508
45 2YVF FAD 0.04849 0.40162 4.16667
46 2YVF NAD 0.04995 0.40162 4.16667
47 3FC2 IBI 0.01064 0.40631 4.1791
48 5JOX EDG 0.00632 0.44312 4.26357
49 1MDZ DCS 0.004286 0.42638 4.3257
50 1MDZ PLP 0.004049 0.42617 4.3257
51 2ZX7 ZX7 0.01096 0.40641 4.3956
52 2NX1 PEP 0.007959 0.40885 4.49438
53 1KBJ FMN 0.004634 0.41548 4.61165
54 1BTN I3P 0.01989 0.42156 4.71698
55 4F8L GAL 0.01978 0.42155 4.82759
56 1NN5 ANP 0.009692 0.40798 5.11628
57 1NN5 2DT 0.009692 0.40798 5.11628
58 3OND ADN 0.0106 0.42346 5.12397
59 3OND NAD 0.0106 0.42346 5.12397
60 1TUV VK3 0.01901 0.40684 5.26316
61 1DJ9 KAM 0.007487 0.40558 5.72917
62 3R35 4CO 0.0136 0.40314 5.96026
63 2R40 EPH 0.005178 0.41984 6.08365
64 3QDY CBS 0.01338 0.40118 6.29371
65 2V5E SCR 0.002882 0.4558 6.5
66 3FC4 EDO 0.01904 0.41603 6.61157
67 1YOA FMN 0.002245 0.47201 6.91824
68 4B8V NDG NAG NAG NAG 0.01069 0.40225 7.01754
69 1PT2 SUC 0.00006006 0.53418 7.38255
70 1XE7 GUN 0.006473 0.42958 7.38916
71 2OFE NAG 0.0103 0.4004 7.74648
72 3RFV 15L 0.005585 0.4137 8.2397
73 1LC8 33P 0.003856 0.42021 8.24176
74 1EP2 ORO 0.005608 0.4227 8.42912
75 1EP2 FMN 0.005962 0.41397 8.42912
76 3E5P PPI 0.001266 0.50779 9.16442
77 1NU4 MLA 0.01683 0.42531 9.27835
78 1OAA OAA 0.02189 0.4064 10.4247
79 1RYI FAD 0.005726 0.43161 10.733
80 1RYI GOA 0.006052 0.43057 10.733
81 2YHW BM3 0.006044 0.41643 10.7872
82 1HFS L04 0.008475 0.41286 11.25
83 2XDQ MGX 0.01156 0.41735 11.5217
84 2J8Z NAP 0.01008 0.406 11.8644
85 3KF3 FRU 0.0001457 0.42868 15.5206
86 1UO5 PIH 0.02208 0.41898 17.6471
87 4IJ6 SEP 0.0371 0.40857 20.8531
88 1EZV SMA 0.01212 0.40004 22.5806
89 1W2T SUC GLA 0.000003938 0.59267 30.5556
90 3PIJ FRU 0.0000001381 0.42734 35.1711
91 1Y9G FRU 0.000001123 0.4033 40.5405
Pocket No.: 3; Query (leader) PDB : 5XHA; Ligand: FRU; 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: 5xha.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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