Receptor
PDB id Resolution Class Description Source Keywords
5GLR 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF COXYL43, GH43 BETA-XYLOSIDASE/ALPHA- ARABINOFURANOSIDASE FROM A COMPOSTMICROBIAL METAGENOME IN CW ITH L-ARABINOSE AND XYLOTRIOSE, CALCIUM-BOUND FORM UNCULTURED BACTERIUM GLYCOSIDE HYDROLASE FAMILY 43 HYDROLASE
Ref.: CRYSTAL STRUCTURE OF METAGENOMIC BETA-XYLOSIDASE/ ALPHA-L-ARABINOFURANOSIDASE ACTIVATED BY CALCIUM. J. BIOCHEM. V. 162 173 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP B:404;
A:405;
Valid;
Valid;
none;
none;
submit data
414.36 n/a O(C1C...
NA B:402;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
CA B:401;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
FUB A:404;
B:403;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0;
submit data
150.13 C5 H10 O5 C([C@...
ARA A:403;
Valid;
none;
submit data
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GLN 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF COXYL43, GH43 BETA-XYLOSIDASE/ALPHA- ARABINOFURANOSIDASE FROM A COMPOSTMICROBIAL METAGENOME IN CW ITH XYLOTRIOSE, CALCIUM-BOUND FORM UNCULTURED BACTERIUM GLYCOSIDE HYDROLASE FAMILY 43 HYDROLASE
Ref.: CRYSTAL STRUCTURE OF METAGENOMIC BETA-XYLOSIDASE/ ALPHA-L-ARABINOFURANOSIDASE ACTIVATED BY CALCIUM. J. BIOCHEM. V. 162 173 2017
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 5GLM - XYP XYP n/a n/a
2 5GLP - ARA C5 H10 O5 C1[C@@H]([....
3 5GLR - FUB C5 H10 O5 C([C@H]1[C....
4 5GLQ - FUB C5 H10 O5 C([C@H]1[C....
5 5GLN - XYP XYP XYP n/a n/a
6 5GLO - ARA C5 H10 O5 C1[C@@H]([....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5GLM - XYP XYP n/a n/a
2 5GLP - ARA C5 H10 O5 C1[C@@H]([....
3 5GLR - FUB C5 H10 O5 C([C@H]1[C....
4 5GLQ - FUB C5 H10 O5 C([C@H]1[C....
5 5GLN - XYP XYP XYP n/a n/a
6 5GLO - ARA C5 H10 O5 C1[C@@H]([....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 5GLM - XYP XYP n/a n/a
2 5GLP - ARA C5 H10 O5 C1[C@@H]([....
3 5GLR - FUB C5 H10 O5 C([C@H]1[C....
4 5GLQ - FUB C5 H10 O5 C([C@H]1[C....
5 5GLN - XYP XYP XYP n/a n/a
6 5GLO - ARA C5 H10 O5 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS XYS XYS XYS 1 1
2 XYP XYP XYP XYP 1 1
3 XYP XYP XYS 1 1
4 XYS XYS XYS XYS XYS 1 1
5 XYP XYP XYP XYP XYP XYP 1 1
6 XYP XYP XYP XYP XYP XYP XYP 1 1
7 XYS XYP XYP 1 1
8 XYP XYP XYP 1 1
9 XYP XYP XYP XYS 1 1
10 XYP XYS XYP 1 1
11 XYP XYP XYP XYP XYP 1 1
12 BXP 0.904762 1
13 XYS XYP 0.904762 1
14 XYP XYS 0.904762 1
15 XYS XYS XYS 0.791667 0.969697
16 XYP XYP XYP AHR 0.590909 0.888889
17 XYS XYP AHR XYP 0.590909 0.888889
18 XYP AHR XYP XYP 0.590909 0.888889
19 AHR XYP XYP XYP 0.575758 0.888889
20 AHR XYS XYP XYP XYP 0.560606 0.888889
21 XYS XYS 0.511111 0.939394
22 XYP XYP TRS 0.508197 0.711111
23 XYP XYP GCV XYP 0.506494 0.888889
24 XYS XYS AZI 0.5 0.653061
25 XYP XYP XYP GCV 0.493506 0.888889
26 GCV XYP XYP XYS 0.493506 0.888889
27 GCV XYP XYP XYP 0.493506 0.888889
28 AHR XYP XYP 0.484848 0.888889
29 XYP XYP AHR 0.484848 0.888889
30 XYS XYP AHR 0.484848 0.888889
31 AHR XYS XYS 0.484848 0.888889
32 XYS XYS NPO 0.455882 0.615385
33 XYP XDN 0.438596 0.704545
34 XIF XYP 0.438596 0.659574
35 XYP XIF 0.438596 0.659574
36 XDN XYP 0.438596 0.704545
37 GCV XYP XYP 0.415584 0.888889
38 GLC GLC XYP 0.405797 0.911765
Ligand no: 2; 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
Ligand no: 3; Ligand: ARA; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GLN; Ligand: XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5gln.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5GLN; Ligand: XYS; 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: 5gln.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5GLN; Ligand: XYP XYP XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5gln.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5GLN; Ligand: XYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5gln.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5GLN; Ligand: XYP XYP XYP; 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: 5gln.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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