Receptor
PDB id Resolution Class Description Source Keywords
1ECC 2.4 Å EC: 2.4.2.14 ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH MN-CPRPP AND 5-OXO- N ORLEUCINE ESCHERICHIA COLI TRANSFERASE GLUTAMINE AMIDOTRANSFERASE PURINE BIOSYNTHESIS GLYCOSYLTRANSFERASE
Ref.: COUPLED FORMATION OF AN AMIDOTRANSFERASE INTERDOMAIN AMMONIA CHANNEL AND A PHOSPHORIBOSYLTRANSFERASE ACTIVE SITE. BIOCHEMISTRY V. 36 11061 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:2376;
A:506;
B:1449;
B:2449;
B:506;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
ONL A:2377;
B:2450;
Invalid;
Invalid;
none;
none;
submit data
145.156 C6 H11 N O3 CC(=O...
PCP A:505;
B:505;
Valid;
Valid;
none;
none;
submit data
388.097 C6 H15 O13 P3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CZF 1.95 Å EC: 2.4.2.14 THE STRUCTURE OF E. COLI PURF IN COMPLEX WITH PPGPP-MG ESCHERICHIA COLI (STRAIN K12) PURF PPGPP TRANSFERASE
Ref.: AFFINITY-BASED CAPTURE AND IDENTIFICATION OF PROTEI EFFECTORS OF THE GROWTH REGULATOR PPGPP. NAT. CHEM. BIOL. V. 15 141 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CZF Kd = 1.6 uM G4P C10 H17 N5 O17 P4 c1nc2c(n1[....
2 1ECJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 1ECC - PCP C6 H15 O13 P3 C1[C@@H]([....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CZF Kd = 1.6 uM G4P C10 H17 N5 O17 P4 c1nc2c(n1[....
2 1ECJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 1ECC - PCP C6 H15 O13 P3 C1[C@@H]([....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CZF Kd = 1.6 uM G4P C10 H17 N5 O17 P4 c1nc2c(n1[....
2 1ECJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 1ECC - PCP C6 H15 O13 P3 C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PCP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PCP 1 1
2 CAK 0.442308 0.894737
Similar Ligands (3D)
Ligand no: 1; Ligand: PCP; Similar ligands found: 2
No: Ligand Similarity coefficient
1 PRP 0.9849
2 TMP 0.8742
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CZF; Ligand: G4P; 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: 6czf.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CZF; Ligand: G4P; 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: 6czf.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback