Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:611;
A:613;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA B:401;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
XYP XYP XYP B:511;
B:501;
Valid;
Valid;
none;
none;
submit data
414.36 n/a O(C1C...
XYP A:532;
Valid;
none;
submit data
150.13 C5 H10 O5 C1[C@...
NA B:411;
A:411;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
XYP XYP A:511;
A:501;
Valid;
Valid;
none;
none;
submit data
164.157 n/a O(C)C...
XYS B:500;
A:500;
Valid;
Valid;
none;
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: XYP; 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
Ligand no: 3; Ligand: XYP XYP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ARW 1 1
2 XYP XYP 1 1
3 X1P 0.461538 0.651163
4 XS2 0.44 0.842105
5 XLM 0.431373 0.837838
6 XYP XYS 0.422222 0.828571
7 XYS XYP 0.422222 0.828571
8 BXP 0.422222 0.828571
Ligand no: 4; Ligand: XYS; 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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