Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMJ A:430;
B:427;
Valid;
Valid;
none;
none;
submit data
163.172 C6 H13 N O4 C1[C@...
EDO A:427;
A:428;
A:429;
B:428;
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 1256 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 1068 families.
1 3QSP - BMA MAN n/a n/a
2 3QRY - DMJ C6 H13 N O4 C1[C@H]([C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 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 - YDR C12 H22 O10 S C([C@@H]1[....
5 5M7I - MAN BMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DMJ; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DGJ 1 1
2 NOJ 1 1
3 DMJ 1 1
4 IMR 0.703704 0.853659
5 EDG 0.703704 0.853659
6 1AB 0.703704 0.853659
7 LDU 0.703704 0.853659
8 HQ6 0.454545 0.765957
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QRY; Ligand: DMJ; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 3qry.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ULV ACR 0.000004973 0.58584 1.64319
2 5BX3 NOJ 0.01128 0.41224 1.87793
3 4WAS COO 0.03752 0.41176 2.1978
4 4WAS NAP 0.04331 0.40832 2.1978
5 3QVP FAD 0.02229 0.4306 2.58216
6 2PTR 2SA 0.03832 0.40127 3.05164
7 3G08 FEE 0.02379 0.43521 3.50877
8 1V7W NDG 0.001597 0.41509 3.52113
9 1GAH ACR 0.000006142 0.49011 4.46009
10 2F6D ACR 0.000004819 0.49096 4.69484
11 2JF4 VDM 0.01193 0.42218 5.86854
12 1Z82 G3H 0.01255 0.40021 6.86567
13 1LF9 ACR 0.000006127 0.58126 7.04225
Pocket No.: 2; Query (leader) PDB : 3QRY; Ligand: DMJ; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 3qry.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OO6 GAL 0.02286 0.40632 1.68675
2 1IA7 BGC BGC 0.02005 0.40035 4.92958
3 4MPO AMP 0.01309 0.41218 9.80392
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