Receptor
PDB id Resolution Class Description Source Keywords
3QSP 2.1 Å NON-ENZYME: OTHER ANALYSIS OF A NEW FAMILY OF WIDELY DISTRIBUTED METAL-INDEPEN MANNOSIDASES PROVIDES UNIQUE INSIGHT INTO THE PROCESSING OFG LYCANS, STREPTOCOCCUS PNEUMONIAE SP_2144 NON-PRODUCTIVE SUCO MPLEX WITH ALPHA-1,6-MANNOBIOSE STREPTOCOCCUS PNEUMONIAE 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
BMA MAN C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
EDO A:429;
A:430;
A:431;
A:432;
B:429;
B:430;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QRY 1.75 Å NON-ENZYME: OTHER ANALYSIS OF A NEW FAMILY OF WIDELY DISTRIBUTED METAL-INDEPEN MANNOSIDASES PROVIDES UNIQUE INSIGHT INTO THE PROCESSING OFG LYCANS, STREPTOCOCCUS PNEUMONIAE SP_2144 1-DEOXYMANNOJIRIMCO MPLEX STREPTOCOCCUS PNEUMONIAE ALPHA-ALPHA SIX FOLD GLYCOSIDE HYDROLASE MANNOSIDASE 1- DEOXYMANNOJIRIMYCIN HYDROLASE
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
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3QSP - BMA MAN n/a n/a
2 3QRY - DMJ C6 H13 N O4 C1[C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3QSP - BMA MAN n/a n/a
2 3QRY - DMJ C6 H13 N O4 C1[C@H]([C....
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: BMA MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA MAN; Similar ligands found: 24
No: Ligand Similarity coefficient
1 BMA MAN 1.0000
2 DMJ MAN 0.9616
3 MMA MAN 0.9487
4 IFM MAN 0.9476
5 BGC GLC 0.9454
6 MAN MAN 0.9430
7 GLC GLC 0.9361
8 GLC BGC 0.9300
9 BMA GLA 0.9290
10 Z4Y MAN 0.9216
11 BGC GLA 0.9176
12 GLC GLA 0.9161
13 7K2 0.9023
14 MSX MAN 0.8992
15 Z9N GLC 0.8941
16 TTZ 0.8841
17 GAL BGC 0.8826
18 7D1 MAN 0.8755
19 MA1 GLC 0.8698
20 SGC GLC 0.8696
21 DMB 0.8680
22 GLC 7LQ 0.8607
23 SER MAN 0.8603
24 FUL 7KT 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QRY; Ligand: DMJ; 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: 3qry.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3QRY; Ligand: DMJ; 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: 3qry.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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