Receptor
PDB id Resolution Class Description Source Keywords
6MGL 1.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN FROM GH74 ENZYME P PAENIBACILLUS ODORIFER, D60A MUTANT IN COMPLEX WITH XXLG ANX YLOGLUCAN PAENIBACILLUS ODORIFER GLYCOSYLHYDROLASE HYDROLASE FAMILY GH74 XYLOGLUCANASE PAENIBACILLUS ODORIFER XYLOGLUCAN
Ref.: STRUCTURAL ENZYMOLOGY REVEALS THE MOLECULAR BASIS O SUBSTRATE REGIOSPECIFICITY AND PROCESSIVITY OF AN E BACTERIAL GLYCOSIDE HYDROLASE FAMILY 74ENDO-XYLOGLU BIOCHEM. J. V. 475 3963 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:820;
A:821;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:828;
A:827;
A:826;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PE3 A:825;
Invalid;
none;
submit data
634.751 C28 H58 O15 C(COC...
MG A:823;
A:822;
A:824;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
BGC BGC BGC XYS BGC XYS XYS GAL B:1;
Valid;
none;
submit data
1225.06 n/a O(CC1...
BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC XYS C:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MGL 1.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN FROM GH74 ENZYME P PAENIBACILLUS ODORIFER, D60A MUTANT IN COMPLEX WITH XXLG ANX YLOGLUCAN PAENIBACILLUS ODORIFER GLYCOSYLHYDROLASE HYDROLASE FAMILY GH74 XYLOGLUCANASE PAENIBACILLUS ODORIFER XYLOGLUCAN
Ref.: STRUCTURAL ENZYMOLOGY REVEALS THE MOLECULAR BASIS O SUBSTRATE REGIOSPECIFICITY AND PROCESSIVITY OF AN E BACTERIAL GLYCOSIDE HYDROLASE FAMILY 74ENDO-XYLOGLU BIOCHEM. J. V. 475 3963 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
2 6MGK - BGC BGC XYS XYS GAL n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
2 6P2O - BGC BGC BGC XYS BGC XYS XYS GAL GAL n/a n/a
3 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
4 6MGK - BGC BGC XYS XYS GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6P2L - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
2 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
3 6P2M - BGC BGC BGC XYS XYS GAL GAL n/a n/a
4 6P2O - BGC BGC BGC XYS BGC XYS XYS GAL GAL n/a n/a
5 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
6 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
7 6MGK - BGC BGC XYS XYS GAL n/a n/a
8 2EBS - BGC BGC BGC XYS BGC XYS XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
2 BGC BGC BGC XYS BGC XYS XYS GAL 1 1
3 BGC BGC XYS BGC XYS XYS GAL 0.95 1
4 BGC BGC BGC XYS BGC XYS GAL 0.949367 1
5 BGC BGC BGC XYS XYS GAL GAL 0.924051 1
6 BGC BGC XYS XYS GAL 0.9 1
7 BGC BGC BGC XYS XYS GAL 0.855422 0.972222
8 BGC BGC BGC XYS BGC XYS XYS 0.848101 1
9 BGC BGC BGC XYS BGC XYS 0.835443 1
10 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.814815 1
11 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.814815 1
12 BGC BGC BGC BGC BGC XYS 0.814815 1
13 BGC BGC BGC XYS 0.765432 1
14 BGC BGC XYS GAL 0.7625 1
15 BGC BGC GLC BGC XYS BGC XYS XYS 0.722892 0.972222
16 GLC GLC XYS XYS 0.7 0.971429
17 NBG BGC BGC XYS BGC XYS XYS 0.621053 0.744681
18 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.593023 0.942857
19 BMA BMA BMA BMA GLA 0.593023 0.942857
20 BGC GLC GLC GLC 0.581395 0.942857
21 GLC GLC GLC GLC GLC 0.581395 0.942857
22 BGC GLC GLC 0.571429 0.942857
23 GLC GLC GLC 0.534091 0.944444
24 GLO BGC BGC XYS BGC XYS XYS 0.518868 0.972222
25 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.518519 0.942857
26 MAN BMA BMA BMA BMA BMA BMA 0.518519 0.942857
27 GLC GLC GLC GLC BGC GLC GLC 0.518519 0.942857
28 MAN BMA BMA 0.517647 0.944444
29 BGC BGC BGC BGC BGC BGC BGC BGC 0.466667 0.942857
30 BGC GAL GLA 0.454545 0.942857
31 BMA BMA BMA BMA GLA BMA GLA 0.423077 0.868421
32 BGC BGC BGC BGC 0.42268 0.942857
33 BGC GAL NAG NAG GAL GAL 0.419643 0.66
34 BGC GAL NGA GAL 0.415842 0.702128
35 MAN MAN MAN MAN MAN MAN MAN 0.413462 0.942857
36 BMA MAN MAN 0.413043 0.942857
37 BGC GAL FUC 0.410526 0.916667
38 GLC GAL BGC FUC 0.410526 0.916667
39 GLC GLC FRU 0.41 0.871795
40 BGC GLC AGL GLC GLC GLC 0.40566 0.6875
41 BGC GLA GAL 0.404762 0.942857
42 G2F BGC BGC BGC BGC BGC 0.404255 0.825
43 G2F SHG BGC BGC 0.402174 0.846154
Ligand no: 2; Ligand: BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC XYS; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC BGC BGC XYS BGC XYS XYS GAL 0.9020
Ligand no: 2; Ligand: BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC XYS; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC XYS 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MGL; Ligand: BGC BGC BGC XYS BGC XYS XYS GAL; 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: 6mgl.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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