Receptor
PDB id Resolution Class Description Source Keywords
1XFG 1.85 Å EC: 2.6.1.16 GLUTAMINASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPL L-GLU HYDROXAMATE ESCHERICHIA COLI GLUTAMINE AMIDOTRANSFERASE; N-TERMINAL NUCLEOPHILE TRANSFER
Ref.: SUBSTRATE BINDING IS REQUIRED FOR ASSEMBLY OF THE A CONFORMATION OF THE CATALYTIC SITE IN NTN AMIDOTRAN EVIDENCE FROM THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF GLUTAMINASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTH STRUCTURE V. 4 801
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:5302;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
HGA A:5300;
B:9300;
Valid;
Valid;
none;
none;
submit data
162.144 C5 H10 N2 O4 C(CC(...
NA A:5301;
B:9301;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XFF 1.8 Å EC: 2.6.1.16 GLUTAMINASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPL GLUTAMATE ESCHERICHIA COLI COMPLEX (TRANSFERASE-INHIBITOR); GLUTAMINE AMIDOTRANSFERASETRANSFERASE
Ref.: SUBSTRATE BINDING IS REQUIRED FOR ASSEMBLY OF THE A CONFORMATION OF THE CATALYTIC SITE IN NTN AMIDOTRAN EVIDENCE FROM THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF GLUTAMINASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTH STRUCTURE V. 4 801
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1XFF Ki = 15 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 1XFG - HGA C5 H10 N2 O4 C(CC(=O)NO....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1XFF Ki = 15 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 1XFG - HGA C5 H10 N2 O4 C(CC(=O)NO....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1XFF Ki = 15 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 1XFG - HGA C5 H10 N2 O4 C(CC(=O)NO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HGA; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 HGA 1 1
2 MEQ 0.617647 0.675
3 GLU 0.53125 0.666667
4 GGL 0.53125 0.666667
5 DGL 0.53125 0.666667
6 DGN 0.53125 0.75
7 GLN 0.53125 0.75
8 3GC 0.512195 0.666667
9 SD4 0.5 0.871795
10 KSN 0.488372 0.717949
11 BWS 0.428571 0.636364
12 API 0.424242 0.648649
13 ONH 0.421053 0.75
14 GSH 0.42 0.622222
15 NNH 0.414634 0.604167
16 5Q1 0.408163 0.780488
17 5PU 0.408163 0.780488
18 UN1 0.405405 0.648649
19 11C 0.405405 0.648649
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XFF; Ligand: GLU; 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: 1xff.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XFF; Ligand: GLU; 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: 1xff.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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