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. 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(C1O...
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
282.245 n/a O(C1O...
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. 2017
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 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 176 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 143 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 XYP XYP XYS 1 1
2 XYS XYS XYS XYS 1 1
3 XYS XYP XYP 1 1
4 XYP XYP XYP XYS 1 1
5 XYP XYP XYP XYP XYP 1 1
6 XYP XYP XYP XYP 1 1
7 XYP XYP XYP 1 1
8 XYP XYP XYP XYP XYP XYP 1 1
9 XYS XYS XYS XYS XYS 1 1
10 XYP XYS XYP 1 1
11 XYS XYS 0.904762 1
12 XYS XYP 0.904762 1
13 XYP XYS 0.904762 1
14 BXP 0.904762 1
15 XYP XYP 0.904762 1
16 XYS XYS XYS 0.791667 0.969697
17 XYS XYP AHR XYP 0.590909 0.888889
18 XYP XYP XYP AHR 0.590909 0.888889
19 XYP AHR XYP XYP 0.590909 0.888889
20 AHR XYP XYP XYP 0.575758 0.888889
21 AHR XYS XYP XYP XYP 0.560606 0.888889
22 XYP XYP GCV XYP 0.506494 0.888889
23 XYS XYS AZI 0.5 0.653061
24 XYP XYP TRS 0.5 0.744186
25 GCV XYP XYP XYS 0.493506 0.888889
26 XYP XYP XYP GCV 0.493506 0.888889
27 GCV XYP XYP XYP 0.493506 0.888889
28 AHR XYP XYP 0.484848 0.888889
29 AHR XYS XYS 0.484848 0.888889
30 XYP XYP AHR 0.484848 0.888889
31 XYS XYP AHR 0.484848 0.888889
32 XYS XYS NPO 0.455882 0.615385
33 XDN XYP 0.438596 0.756098
34 XYP XDN 0.438596 0.756098
35 XYP XIF 0.431034 0.704545
36 XIF XYP 0.431034 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: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Ligand no: 3; Ligand: XYP XYP; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP 1 1
2 XYS XYS 1 1
3 XYS XYP 1 1
4 BXP 1 1
5 XYP XYS 1 1
6 XYP XYP XYP XYP XYP XYP 0.904762 1
7 XYS XYP XYP 0.904762 1
8 XYP XYP XYP XYS 0.904762 1
9 XYS XYS XYS XYS 0.904762 1
10 XYS XYS XYS XYS XYS 0.904762 1
11 XYP XYP XYP XYP 0.904762 1
12 XYP XYS XYP 0.904762 1
13 XYP XYP XYS 0.904762 1
14 XYP XYP XYP 0.904762 1
15 XYP XYP XYP XYP XYP 0.904762 1
16 XYS XYS XYS 0.708333 0.969697
17 XYS XYP AHR XYP 0.603175 0.888889
18 XYP XYP XYP AHR 0.603175 0.888889
19 XYP AHR XYP XYP 0.603175 0.888889
20 XYS XYS AZI 0.537037 0.653061
21 XYP XYP AHR 0.516129 0.888889
22 AHR XYP XYP 0.516129 0.888889
23 XYS XYP AHR 0.516129 0.888889
24 AHR XYS XYS 0.516129 0.888889
25 AHR XYP XYP XYP 0.515152 0.888889
26 XYP XYP GCV XYP 0.513514 0.888889
27 AHR XYS XYP XYP XYP 0.5 0.888889
28 XYP XYP TRS 0.483333 0.744186
29 XYP XDN 0.471698 0.756098
30 XDN XYP 0.471698 0.756098
31 XIF XYP 0.462963 0.704545
32 XYP XIF 0.462963 0.704545
33 GCV XYP XYP XYS 0.441558 0.888889
34 GCV XYP XYP XYP 0.441558 0.888889
35 XYP XYP XYP GCV 0.441558 0.888889
36 XYS XYS NPO 0.439394 0.615385
37 GCV XYP XYP 0.438356 0.888889
38 ARW 0.422222 0.828571
39 XIL 0.416667 0.680851
40 XYP LOX 0.416667 0.603774
41 XDL XYP 0.416667 0.680851
42 XYP 0.414634 0.84375
43 HSY 0.414634 0.84375
44 ARB 0.414634 0.84375
45 ARA 0.414634 0.84375
46 0MK 0.414634 0.84375
47 LXC 0.414634 0.84375
48 XYS 0.414634 0.84375
49 RIP 0.414634 0.84375
50 GLC GLC XYP 0.409091 0.911765
Ligand no: 4; Ligand: XYS; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5GLN; Ligand: XYS; Similar sites found: 22
This union binding pocket(no: 2) in the query (biounit: 5gln.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VSS FRU 0.00009351 0.40067 2.61628
2 1PT2 SUC 0.0003925 0.40422 3.48837
3 2CXG GLC GLC 0.03265 0.4023 4.36047
4 1W2T SUC GLA 0.0004179 0.40257 4.65116
5 1Y9G FRU 0.00003131 0.42056 4.94186
6 2X77 GDP 0.01593 0.40484 4.94186
7 3KF3 FRU 0.0003118 0.45335 5.81395
8 4N2R FUB 0.00002737 0.4221 6.28743
9 1G7C 5GP 0.01727 0.40695 6.38298
10 2CJW GDP 0.01107 0.41652 6.77083
11 3PIJ FRU 0.0001943 0.40238 6.84411
12 2OBM ADP 0.00242 0.46436 6.97674
13 2YFT DQR 0.0005393 0.41282 8.13953
14 3AKI AH8 0.00006978 0.43808 9.01163
15 5JOX EDG 0.0000003297 0.64919 10.4651
16 1YRX FMN 0.01003 0.40702 13.2231
17 3D5Z FUB AHR AHR 0.001037 0.41258 13.3758
18 3WN0 FUB 0.0004147 0.43078 14.1553
19 2GUC MAN 0.006194 0.43611 14.7541
20 2NU5 NAG 0.006664 0.4346 14.7541
21 2NUO BGC 0.02121 0.40209 14.7541
22 2EXK XYS XYS 0.00000687 0.47099 21.8023
Pocket No.: 3; Query (leader) PDB : 5GLN; Ligand: XYP XYP XYP; Similar sites found: 17
This union binding pocket(no: 3) in the query (biounit: 5gln.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WCX MET 0.03223 0.40222 1.16279
2 4CJN QNZ 0.008925 0.44043 1.74419
3 5AMC GLY NIY 0.02539 0.40667 2.32558
4 1B09 PC 0.02281 0.40765 2.91262
5 5JCM NAD 0.02369 0.40059 3.54767
6 3MAN BMA BMA MAN 0.04266 0.40308 3.64238
7 5MUL BDP 0.01866 0.42031 4.36047
8 1Y9G FRU 0.0000374 0.40016 4.94186
9 3KF3 FRU 0.0001692 0.45002 5.81395
10 4N2R FUB 0.00003282 0.40152 6.28743
11 2OBM ADP 0.006075 0.44644 6.97674
12 3AKI AH8 0.00009088 0.41662 9.01163
13 5JOX EDG 0.0000004225 0.65105 10.4651
14 2ZFZ ARG 0.04423 0.40235 11.3924
15 3WN0 FUB 0.0002824 0.41997 14.1553
16 2NUO BGC 0.02436 0.40237 14.7541
17 2EXK XYS XYS 0.00001013 0.44438 21.8023
Pocket No.: 4; Query (leader) PDB : 5GLN; Ligand: XYS; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 5gln.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WCX MET 0.03223 0.40222 1.16279
2 4CJN QNZ 0.008925 0.44043 1.74419
3 5AMC GLY NIY 0.02539 0.40667 2.32558
4 1B09 PC 0.02281 0.40765 2.91262
5 5JCM NAD 0.02369 0.40059 3.54767
6 3MAN BMA BMA MAN 0.04266 0.40308 3.64238
7 5MUL BDP 0.01866 0.42031 4.36047
8 2ZFZ ARG 0.04423 0.40235 11.3924
Pocket No.: 5; Query (leader) PDB : 5GLN; Ligand: XYP XYP XYP; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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