Receptor
PDB id Resolution Class Description Source Keywords
3R75 2.1 Å EC: 4.1.3.27 CRYSTAL STRUCTURE OF 2-AMINO-2-DESOXYISOCHORISMATE SYNTHASE SYNTHASE PHZE FROM BURKHOLDERIA LATA 383 IN COMPLEX WITH BEP YRUVATE, GLUTAMINE AND CONTAMINATING ZN2+ BURKHOLDERIA SP. AMMONIA CHANNEL CHORISMATE TYPE 1 GLUTAMINE AMIDOTRANSFERAPHENAZINE BIOSYNTHESIS LYASE SYNTHASE BIOSYNTHETIC PROTE
Ref.: LIGAND BINDING INDUCES AN AMMONIA CHANNEL IN 2-AMINO-2-DESOXYISOCHORISMATE (ADIC) SYNTHASE PHZE. J.BIOL.CHEM. V. 286 18213 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEZ A:701;
B:701;
Valid;
Valid;
none;
none;
submit data
122.121 C7 H6 O2 c1ccc...
MG A:700;
B:644;
B:700;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:900;
B:900;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
PYR A:702;
B:702;
Valid;
Valid;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
ZN A:950;
B:950;
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
3R75 2.1 Å EC: 4.1.3.27 CRYSTAL STRUCTURE OF 2-AMINO-2-DESOXYISOCHORISMATE SYNTHASE SYNTHASE PHZE FROM BURKHOLDERIA LATA 383 IN COMPLEX WITH BEP YRUVATE, GLUTAMINE AND CONTAMINATING ZN2+ BURKHOLDERIA SP. AMMONIA CHANNEL CHORISMATE TYPE 1 GLUTAMINE AMIDOTRANSFERAPHENAZINE BIOSYNTHESIS LYASE SYNTHASE BIOSYNTHETIC PROTE
Ref.: LIGAND BINDING INDUCES AN AMMONIA CHANNEL IN 2-AMINO-2-DESOXYISOCHORISMATE (ADIC) SYNTHASE PHZE. J.BIOL.CHEM. V. 286 18213 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3R75 - PYR C3 H4 O3 CC(=O)C(=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 3R75 - PYR C3 H4 O3 CC(=O)C(=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 3R75 - PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEZ; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BEZ 1 1
2 8OZ 0.517241 0.625
3 8G0 0.481481 0.714286
4 1Y6 0.464286 0.666667
5 NIO 0.433333 0.625
6 PHB 0.428571 0.625
7 PHT 0.423077 0.625
8 3HB 0.419355 0.625
9 MBO 0.413793 0.769231
10 4MA 0.413793 0.909091
11 Z82 0.413793 0.666667
12 174 0.413793 0.666667
13 3BZ 0.40625 0.666667
Ligand no: 2; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R75; Ligand: PYR; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3r75.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2FN1 PYR 30.6636
Pocket No.: 2; Query (leader) PDB : 3R75; Ligand: PYR; 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: 3r75.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3R75; Ligand: BEZ; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3r75.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5JY4 ISC 23.2737
2 2FN1 SAL 30.6636
Pocket No.: 4; Query (leader) PDB : 3R75; Ligand: BEZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3r75.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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