Receptor
PDB id Resolution Class Description Source Keywords
6G4E 2.45 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE OMEGA TRANSAMINASE FROM PSEUDOMONAS IN COMPLEX WITH PLP AND 6-AMINOHEXANOATE (6-ACA) PSEUDOMONAS SP TRANSAMINASE AMINOTRANSFERASE PYRIDOXAMINE PHOSPHATE PLP-DEPENDENT TRANSFERASE
Ref.: BIOCHEMICAL PROPERTIES OF A PSEUDOMONAS AMINOTRANSF INVOLVED IN CAPROLACTAM METABOLISM. FEBS J. V. 286 4086 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP ACA A:501;
 Valid;
 none;
 submit data
359.295 n/a P(=O)...
PLP B:501;
 Invalid;
 none;
 submit data
247.142 C8 H10 N O6 P Cc1c(...
GOL B:502;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6G4E 2.45 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE OMEGA TRANSAMINASE FROM PSEUDOMONAS IN COMPLEX WITH PLP AND 6-AMINOHEXANOATE (6-ACA) PSEUDOMONAS SP TRANSAMINASE AMINOTRANSFERASE PYRIDOXAMINE PHOSPHATE PLP-DEPENDENT TRANSFERASE
Ref.: BIOCHEMICAL PROPERTIES OF A PSEUDOMONAS AMINOTRANSF INVOLVED IN CAPROLACTAM METABOLISM. FEBS J. V. 286 4086 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 6G4F - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 6G4B - SIN C4 H6 O4 C(CC(=O)O)....
3 6G4E - PLP ACA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 6G4F - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 6G4B - SIN C4 H6 O4 C(CC(=O)O)....
3 6G4E - PLP ACA n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6G4E - PLP ACA n/a n/a
2 4B9B - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 4B98 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
4 6IO1 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 1SZS - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 1SFF - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
7 3A8U - PLP C8 H10 N O6 P Cc1c(c(c(c....
8 1D7U - LCS C11 H14 N3 O7 P Cc1c(c(c(c....
9 1M0O Ki = 4.9 mM MPM C12 H20 N2 O8 P2 CC[C@](C)(....
10 1M0N Ki = 6 mM HCP C13 H20 N2 O8 P2 Cc1c(c(c(c....
11 1M0Q Ki = 1.1 mM EPC C10 H16 N2 O8 P2 Cc1c(c(c(c....
12 1ZC9 Kd = 0.6 mM PMP C8 H13 N2 O5 P Cc1c(c(c(c....
13 1D7R - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
14 1D7S - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PLP ACA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP ACA 1 1
2 PLP MH6 IDM 0.441176 0.753425
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP ACA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 PLP ABU 0.8680
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6G4E; Ligand: PLP ACA; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 6g4e.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5YKT PMP 31.0195
2 5YKT PMP 31.0195
3 4UOX PLP 40.7328
4 4UOX PLP 40.7328
5 4UOX PUT 40.7328
6 4ADC PLP 50
7 4ADC PLP 50
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