Receptor
PDB id Resolution Class Description Source Keywords
3QT9 2.05 Å NON-ENZYME: OTHER ANALYSIS OF A NEW FAMILY OF WIDELY DISTRIBUTED METAL-INDEPEN MANNOSIDASES PROVIDES UNIQUE INSIGHT INTO THE PROCESSING OFG LYCANS, CLOSTRIDIUM PERFRINGENS CPE0426 COMPLEXED WITH ALPLI NKED 1-THIO-ALPHA-MANNOBIOSE CLOSTRIDIUM PERFRINGENS ALPHA-ALPHA SIX FOLD GLYCOSIDE HYDROLASE MANNOSIDASE HYDR
Ref.: ANALYSIS OF A NEW FAMILY OF WIDELY DISTRIBUTED METAL-INDEPENDENT {ALPHA}-MANNOSIDASES PROVIDES UNI INSIGHT INTO THE PROCESSING OF N-LINKED GLYCANS. J.BIOL.CHEM. V. 286 15586 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:506;
A:504;
A:505;
A:501;
A:502;
A:503;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
Z4Y MAN B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RQK 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GH125 1,6-ALPHA-MANNOSIDASE FROM CLOSTR PERFRINGENS IN COMPLEX WITH MANNOIMIDAZOLE CLOSTRIDIUM PERFRINGENS STR. 13 CARBOHYDRATE INHIBITOR GLYCOSIDE HYDROLASE COMPLEX HYDRO
Ref.: DISTORTION OF MANNOIMIDAZOLE SUPPORTS A B2,5BOAT TR STATE FOR THE FAMILY GH125 ALPHA-1,6-MANNOSIDASE FR CLOSTRIDIUM PERFRINGENS. ORG.BIOMOL.CHEM. V. 17 7863 2019
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5M7Y - MAN MAN MAN n/a n/a
2 3QT9 - Z4Y MAN n/a n/a
3 5M7I - BMA MAN n/a n/a
4 6RQK Kd = 1.6 mM MVL C8 H12 N2 O4 c1cn2c(n1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5M7Y - MAN MAN MAN n/a n/a
2 3QT9 - Z4Y MAN n/a n/a
3 5M7I - BMA MAN n/a n/a
4 6RQK Kd = 1.6 mM MVL C8 H12 N2 O4 c1cn2c(n1)....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3QSP - BMA MAN n/a n/a
2 3QRY - DMJ C6 H13 N O4 C1[C@H]([C....
3 5M7Y - MAN MAN MAN n/a n/a
4 3QT9 - Z4Y MAN n/a n/a
5 5M7I - BMA MAN n/a n/a
6 6RQK Kd = 1.6 mM MVL C8 H12 N2 O4 c1cn2c(n1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Z4Y MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: Z4Y MAN; Similar ligands found: 8
No: Ligand Similarity coefficient
1 Z4Y MAN 1.0000
2 MSX MAN 0.9371
3 7K2 0.9312
4 BMA MAN 0.9216
5 BGC GLC 0.8675
6 DMJ MAN 0.8645
7 GLC BGC 0.8644
8 Z5L MAN 0.8562
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RQK; Ligand: MVL; 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: 6rqk.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6RQK; Ligand: MVL; 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: 6rqk.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6RQK; Ligand: MVL; 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: 6rqk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6RQK; Ligand: MVL; 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: 6rqk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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