Receptor
PDB id Resolution Class Description Source Keywords
1GVY 1.7 Å EC: 3.2.1.78 SUBSTRATE DISTORSION BY BETA-MANNANASE FROM PSEUDOMONAS CELL PSEUDOMONAS CELLULOSA HYDROLASE GLYCOSIDE HYDROLASE GLYCOSIDASE MANNANASE MANNFAMILY 26
Ref.: SUBSTRATE DISTORTION BY A BETA-MANNANASE: SNAPSHOTS MICHAELIS AND COVALENT-INTERMEDIATE COMPLEXES SUGGE CONFORMATION FOR THE TRANSITION STATE ANGEW.CHEM.INT.ED.ENGL. V. 41 2824 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:1424;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
TRS A:1429;
A:1430;
 Invalid;
Invalid;
 none;
none;
 submit data
122.143 C4 H12 N O3 C(C(C...
ZN A:1423;
A:1425;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
MBF NIN BMA BMA B:1;
 Valid;
 none;
 submit data
672.521 n/a FC1C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ODZ 1.4 Å EC: 3.2.1.78 EXPANSION OF THE GLYCOSYNTHASE REPERTOIRE TO PRODUCE DEFINED OLIGOSACCHARIDES CELLVIBRIO JAPONICUS HYDROLASE MANNANASE FAMILY 26 GLYCOSIDE-HYDROLASE GLYCOSMANNO-OLIGOSACCHARIDE
Ref.: EXPANSION OF THE GLYCOSYNTHASE REPERTOIRE TO PRODUC MANNO-OLIGOSACCHARIDES CHEM.COMMUN.(CAMB.) V. 12 1327 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1ODZ - MAN BMA n/a n/a
2 1GVY - MBF NIN BMA BMA n/a n/a
3 1GW1 - NIN MBF BMA BMA n/a n/a
4 2WHM - MAN BMA 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 8 families.
1 1ODZ - MAN BMA n/a n/a
2 1GVY - MBF NIN BMA BMA n/a n/a
3 1GW1 - NIN MBF BMA BMA n/a n/a
4 2WHM - MAN BMA n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ODZ - MAN BMA n/a n/a
2 1GVY - MBF NIN BMA BMA n/a n/a
3 1GW1 - NIN MBF BMA BMA n/a n/a
4 2WHM - MAN BMA n/a n/a
5 2VX7 - BMA BMA n/a n/a
6 2VX6 - BMA BMA BMA BMA GLA n/a n/a
7 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
8 4CD4 Ki = 263 nM BMA IFM n/a n/a
9 4CD5 Ki = 194 nM BMA MVL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MBF NIN BMA BMA; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 MBF NIN BMA BMA 1 1
2 DCB 0.932432 1
3 NFG BGC BGC XYS BGC XYS 0.765957 0.96875
4 NFG BGC BGC XYS BGC XYS XYS 0.704082 0.96875
5 NFG 0.658228 0.983871
6 M2F 0.658228 0.983871
7 RCB 0.563218 0.854839
8 NPJ 0.54023 0.854839
9 145 0.436782 0.854839
10 PNA 0.406977 0.822581
11 147 0.406977 0.822581
12 NBZ GLA 0.406977 0.822581
13 PNW 0.406977 0.822581
14 MBE 0.406977 0.822581
15 PNG 0.406977 0.822581
16 GLA NPO 0.406977 0.822581
17 GAA 0.404494 0.809524
Similar Ligands (3D)
Ligand no: 1; Ligand: MBF NIN BMA BMA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ODZ; Ligand: MAN BMA; 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: 1odz.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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