Receptor
PDB id Resolution Class Description Source Keywords
6CBN 1.35 Å EC: 2.6.1.93 X-RAY STRUCTURE OF NEOB FROM STREPTOMYCES FRADIAE IN COMPLEX AND NEOMYCIN (AS THE EXTERNAL ALDIMINE) AT PH 7.5 STREPTOMYCES FRADIAE NEOMYCIN AMINOTRANSFERASE TRANSFERASE
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF NEOB: AN AMINOTR INVOLVED IN THE BIOSYNTHESIS OF NEOMYCIN. PROTEIN SCI. V. 27 945 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OZY B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
845.786 C31 H56 N7 O18 P Cc1c(...
EDO A:502;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CBN 1.35 Å EC: 2.6.1.93 X-RAY STRUCTURE OF NEOB FROM STREPTOMYCES FRADIAE IN COMPLEX AND NEOMYCIN (AS THE EXTERNAL ALDIMINE) AT PH 7.5 STREPTOMYCES FRADIAE NEOMYCIN AMINOTRANSFERASE TRANSFERASE
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF NEOB: AN AMINOTR INVOLVED IN THE BIOSYNTHESIS OF NEOMYCIN. PROTEIN SCI. V. 27 945 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CBN - OZY C31 H56 N7 O18 P Cc1c(c(c(c....
2 6CBK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 6CBL - DOW C20 H36 N5 O11 P Cc1c(c(c(c....
4 6CBM - OZY C31 H56 N7 O18 P Cc1c(c(c(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CBO - DOW C20 H36 N5 O11 P Cc1c(c(c(c....
2 6CBN - OZY C31 H56 N7 O18 P Cc1c(c(c(c....
3 6CBK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 6CBL - DOW C20 H36 N5 O11 P Cc1c(c(c(c....
5 6CBM - OZY C31 H56 N7 O18 P Cc1c(c(c(c....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5Z8A - PLP JIA n/a n/a
2 6CBO - DOW C20 H36 N5 O11 P Cc1c(c(c(c....
3 5Z8K - PLP XXX n/a n/a
4 6CBN - OZY C31 H56 N7 O18 P Cc1c(c(c(c....
5 6CBK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
6 6CBL - DOW C20 H36 N5 O11 P Cc1c(c(c(c....
7 6CBM - OZY C31 H56 N7 O18 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OZY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 OZY 1 1
2 DOW 0.698276 0.970588
3 NMY 0.555556 0.705882
4 PAR 0.540541 0.705882
5 RIO 0.451327 0.705882
Similar Ligands (3D)
Ligand no: 1; Ligand: OZY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CBN; Ligand: OZY; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 6cbn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4E3Q PMP 3.19635
2 4E3Q PMP 3.19635
3 3A8U PLP 24.8858
4 6S54 PLP 39.726
5 6S54 PLP 39.726
6 6S54 PLP 39.726
7 6S54 PLP 39.726
Pocket No.: 2; Query (leader) PDB : 6CBN; Ligand: OZY; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 6cbn.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4E3Q PMP 3.19635
2 4E3Q PMP 3.19635
3 3A8U PLP 24.8858
4 6S54 PLP 39.726
5 6S54 PLP 39.726
6 6S54 PLP 39.726
7 6S54 PLP 39.726
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