Receptor
PDB id Resolution Class Description Source Keywords
5IWU 1.3 Å EC: 2.-.-.- MACROLIDE 2'-PHOSPHOTRANSFERASE TYPE II COMPLEXED WITH ERYTH ESCHERICHIA COLI MACROLIDE PHOSPHOTRANSFERASE KINASE TRANSFERASE TRANSFERAANTIBIOTIC COMPLEX
Ref.: STRUCTURAL BASIS FOR KINASE-MEDIATED MACROLIDE ANTI RESISTANCE. STRUCTURE V. 25 750 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:401;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT A:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:403;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
ERY A:404;
Valid;
none;
submit data
733.927 C37 H67 N O13 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IH1 1.31 Å EC: 2.-.-.- MACROLIDE 2'-PHOSPHOTRANSFERASE TYPE II - COMPLEX WITH GDP A PHOSPHORYLATED JOSAMYCIN ESCHERICHIA COLI MACROLIDE PHOSPHOTRANSFERASE KINASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR KINASE-MEDIATED MACROLIDE ANTI RESISTANCE. STRUCTURE V. 25 750 2017
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 5IGY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5IGV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5IH1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5IGZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5IGW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5IH0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5IWU - ERY C37 H67 N O13 CC[C@@H]1[....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 5IGY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5IGV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5IH1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5IGZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5IGW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5IH0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5IWU - ERY C37 H67 N O13 CC[C@@H]1[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5IGY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5IGV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5IH1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5IGZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5IGW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5IH0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5IWU - ERY C37 H67 N O13 CC[C@@H]1[....
8 5IGT Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
9 5IGI Kd = 0.17 uM ZIT C38 H72 N2 O12 CC[C@@H]1[....
10 5IGP Kd = 0.2 uM ERY C37 H67 N O13 CC[C@@H]1[....
11 5IGR - ZIO C35 H61 N O12 C[C@@H]1C[....
12 5IGS - GMP C10 H13 N5 O5 c1nc2c(n1[....
13 5IGJ Kd = 0.18 uM CTY C38 H69 N O13 CC[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ERY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ERY 1 1
2 CTY 0.831776 0.981481
3 ERB 0.790909 0.981481
4 ZIT 0.737288 0.898305
5 EY5 0.669565 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ERY; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ZIO 0.8592
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IH1; Ligand: GDP; 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: 5ih1.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5IH1; Ligand: 6BQ; 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: 5ih1.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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