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Receptor
PDB id Resolution Class Description Source Keywords
3WKX 2 Å EC: 3.2.1.185 CRYSTAL STRUCTURE OF GH127 BETA-L-ARABINOFURANOSIDASE HYPBA1 BIFIDOBACTERIUM LONGUM ARABINOSE COMPLEX FORM BIFIDOBACTERIUM LONGUM (ALPHA/ALPHA)6 BARREL HYDROLASE INTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 127 BETA-L-ARABINOFURANOSIDASE FROM BIFIDOBACTERIUM LON BIOCHEM.BIOPHYS.RES.COMMUN. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUB A:701;
Valid;
none;
submit data
150.13 C5 H10 O5 C([C@...
ZN A:702;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WKX 2 Å EC: 3.2.1.185 CRYSTAL STRUCTURE OF GH127 BETA-L-ARABINOFURANOSIDASE HYPBA1 BIFIDOBACTERIUM LONGUM ARABINOSE COMPLEX FORM BIFIDOBACTERIUM LONGUM (ALPHA/ALPHA)6 BARREL HYDROLASE INTRACELLULAR
Ref.: CRYSTAL STRUCTURE OF GLYCOSIDE HYDROLASE FAMILY 127 BETA-L-ARABINOFURANOSIDASE FROM BIFIDOBACTERIUM LON BIOCHEM.BIOPHYS.RES.COMMUN. 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WKX - FUB C5 H10 O5 C([C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUB; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 AHR 1 1
2 FUB 1 1
3 32O 1 1
4 Z6J 1 1
5 RIB 1 1
6 GAL 0.653846 0.866667
7 GLC 0.653846 0.866667
8 BMA 0.653846 0.866667
9 WOO 0.653846 0.866667
10 GLA 0.653846 0.866667
11 BGC 0.653846 0.866667
12 MAN 0.653846 0.866667
13 GXL 0.653846 0.866667
14 ALL 0.653846 0.866667
15 GIV 0.653846 0.866667
16 FUB AHR 0.486486 0.875
17 AHR AHR 0.486486 0.875
18 G3F 0.483871 0.764706
19 2FG 0.483871 0.764706
20 1GN 0.483871 0.684211
21 GCS 0.483871 0.684211
22 SHG 0.483871 0.764706
23 2H5 0.483871 0.764706
24 PA1 0.483871 0.684211
25 GAF 0.483871 0.764706
26 X6X 0.483871 0.684211
27 95Z 0.483871 0.684211
28 G2F 0.483871 0.764706
29 3MG 0.46875 0.764706
30 SR1 0.466667 0.764706
31 2GS 0.454545 0.764706
32 FUB AHR AHR 0.45 0.875
33 AHR AHR AHR AHR AHR AHR 0.45 0.875
34 RP5 0.441176 0.675
35 HSX 0.441176 0.675
36 ABF 0.441176 0.675
37 GAL BGC 0.439024 0.742857
38 LBT 0.439024 0.742857
39 CBI 0.439024 0.742857
40 BMA GAL 0.439024 0.742857
41 B2G 0.439024 0.742857
42 GLA GLA 0.439024 0.742857
43 GLC GAL 0.439024 0.742857
44 N9S 0.439024 0.742857
45 BGC BMA 0.439024 0.742857
46 BGC GAL 0.439024 0.742857
47 MAL 0.439024 0.742857
48 MAB 0.439024 0.742857
49 GLA GAL 0.439024 0.742857
50 LAT 0.439024 0.742857
51 CBK 0.439024 0.742857
52 TRE 0.424242 0.742857
53 YIO 0.419355 0.757576
54 GLF 0.40625 0.735294
55 ALX 0.405405 0.619048
56 BNX 0.405405 0.619048
57 LB2 0.404762 0.742857
58 M3M 0.404762 0.742857
59 MAN GLC 0.404762 0.742857
60 NGR 0.404762 0.742857
61 GLA GAL BGC 0.4 0.742857
62 BGC BGC BGC BGC BGC BGC 0.4 0.742857
63 BGC BGC BGC BGC BGC 0.4 0.742857
64 BGC GLC GLC GLC 0.4 0.742857
65 CT3 0.4 0.742857
66 CEY 0.4 0.742857
67 GAL GAL GAL 0.4 0.742857
68 CE6 0.4 0.742857
69 B4G 0.4 0.742857
70 BMA MAN BMA 0.4 0.742857
71 GLC BGC BGC 0.4 0.742857
72 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.742857
73 MAN BMA BMA BMA BMA BMA 0.4 0.742857
74 GLA GAL GLC 0.4 0.742857
75 MT7 0.4 0.742857
76 GLC GLC BGC 0.4 0.742857
77 GLC GAL GAL 0.4 0.742857
78 CEX 0.4 0.742857
79 GLC GLC GLC GLC GLC 0.4 0.742857
80 DXI 0.4 0.742857
81 GLC BGC GLC 0.4 0.742857
82 CE5 0.4 0.742857
83 BGC BGC BGC BGC 0.4 0.742857
84 BGC GLC GLC GLC GLC GLC GLC 0.4 0.742857
85 CE8 0.4 0.742857
86 BGC GLC GLC GLC GLC 0.4 0.742857
87 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.742857
88 CTR 0.4 0.742857
89 BMA BMA BMA 0.4 0.742857
90 GLC BGC BGC BGC BGC BGC 0.4 0.742857
91 BMA BMA BMA BMA BMA 0.4 0.742857
92 CTT 0.4 0.742857
93 BMA BMA BMA BMA BMA BMA 0.4 0.742857
94 BGC GLC GLC 0.4 0.742857
95 MAN MAN BMA BMA BMA BMA 0.4 0.742857
96 GLC BGC BGC BGC BGC 0.4 0.742857
97 ASO 0.4 0.757576
98 BGC BGC GLC 0.4 0.742857
99 BGC BGC BGC 0.4 0.742857
100 MAN BMA BMA 0.4 0.742857
101 MLR 0.4 0.742857
102 BGC BGC BGC GLC 0.4 0.742857
103 MAN BMA BMA BMA BMA 0.4 0.742857
104 GLC BGC BGC BGC 0.4 0.742857
105 MTT 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WKX; Ligand: FUB; Similar sites found with APoc: 37
This union binding pocket(no: 1) in the query (biounit: 3wkx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4BQH 9VU 1.45719
2 4ZOA IFM 1.64425
3 4OOE NDP 1.73267
4 4OOE FOM 1.73267
5 4MN7 SME 2.01342
6 2JF4 VDM 2.42991
7 2X3J X3J 2.58065
8 1GQG DCD 2.85714
9 1KEV NDP 3.1339
10 3P7N FMN 3.48837
11 4UTW RFW 3.49345
12 1SFF IK2 3.52113
13 4R5Z SIN 3.54223
14 4B7X NAP 3.57143
15 2HW2 RFP 4.1958
16 4UDG NDG 4.32277
17 5JY4 ISC 4.34783
18 1F8Y 5MD 4.4586
19 3RDE OYP 4.53752
20 2VBA P4T 4.6798
21 5OKT 9XK 4.77707
22 5A0U CHT 4.78326
23 6AIX A3P 5.02645
24 2CM4 RCL 5.33333
25 4Z87 5GP 5.33333
26 5G3U ITW 6.61939
27 1QFT HSM 6.85714
28 5ZKC 3C0 8.07601
29 6F4T OGA 8.23529
30 1Y0G 8PP 8.37696
31 3QWI NAP 9.25926
32 3OBK PBG 9.83146
33 4PC3 GDP 10.1523
34 2X06 NAD 10.1744
35 1N46 PFA 15.1163
36 5OPJ AHR 16.1435
37 4HGD KGT 18.4751
Pocket No.: 2; Query (leader) PDB : 3WKX; Ligand: FUB; 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: 3wkx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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