Receptor
PDB id Resolution Class Description Source Keywords
2P53 2.1 Å EC: 3.5.1.25 CRYSTAL STRUCTURE OF N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE DEAC D273N MUTANT COMPLEXED WITH N-ACETYL PHOSPHONAMIDATE-D-GLUCP HOSPHATE ESCHERICHIA COLI N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE DEACETYLASE AMINOHYDROLA(BETA/ALPHA)8-BARREL HYDROLASE
Ref.: STRUCTURAL DIVERSITY WITHIN THE MONONUCLEAR AND BIN ACTIVE SITES OF N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE DEACETYLASE. BIOCHEMISTRY V. 46 7953 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NNG A:411;
B:411;
 Valid;
Valid;
 none;
none;
 submit data
337.158 C7 H17 N O10 P2 C[P@@...
ZN A:401;
B:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P53 2.1 Å EC: 3.5.1.25 CRYSTAL STRUCTURE OF N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE DEAC D273N MUTANT COMPLEXED WITH N-ACETYL PHOSPHONAMIDATE-D-GLUCP HOSPHATE ESCHERICHIA COLI N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE DEACETYLASE AMINOHYDROLA(BETA/ALPHA)8-BARREL HYDROLASE
Ref.: STRUCTURAL DIVERSITY WITHIN THE MONONUCLEAR AND BIN ACTIVE SITES OF N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE DEACETYLASE. BIOCHEMISTRY V. 46 7953 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2P53 - NNG C7 H17 N O10 P2 C[P@@](=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2P53 - NNG C7 H17 N O10 P2 C[P@@](=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2P53 - NNG C7 H17 N O10 P2 C[P@@](=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NNG; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 NNG 1 1
2 MQG 0.645833 0.924528
3 16G 0.603774 0.890909
4 BMX 0.603774 0.890909
5 4QY 0.603774 0.890909
6 ABF 0.565217 0.685185
7 RP5 0.565217 0.685185
8 HSX 0.565217 0.685185
9 A6P 0.530612 0.75
10 M6D 0.530612 0.75
11 BG6 0.530612 0.75
12 BGP 0.530612 0.75
13 G6P 0.530612 0.75
14 M6P 0.530612 0.75
15 AHG 0.5 0.672727
16 4R1 0.490566 0.867925
17 GLP 0.490566 0.867925
18 RF5 0.470588 0.62069
19 50A 0.470588 0.62069
20 FDQ 0.45283 0.660714
21 GRF 0.45098 0.77193
22 D6G 0.444444 0.722222
23 RI2 0.444444 0.685185
Similar Ligands (3D)
Ligand no: 1; Ligand: NNG; Similar ligands found: 3
No: Ligand Similarity coefficient
1 SGN 0.9614
2 NGS 0.9330
3 PTR 0.8646
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P53; Ligand: NNG; 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: 2p53.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2P53; Ligand: NNG; 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: 2p53.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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