Receptor
PDB id Resolution Class Description Source Keywords
1mlz 2.15 Å EC: 2.6.1.62 CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE IN WITH THE TRANS-ISOMER OF AMICLENOMYCIN. ESCHERICHIA COLI AMINOTRANSFERASE FOLD TYPE I SUBCLASS II AMICLENOMYCIN TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE INHIBITION OF THE BIOSYNTH BIOTIN BY THE ANTIBIOTIC AMICLENOMYCIN J.BIOL.CHEM. V. 277 43352 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:501;
B:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
PLP B:530;
 Invalid;
 none;
 submit data
247.142 C8 H10 N O6 P Cc1c(...
TZA B:531;
 Invalid;
 none;
 submit data
196.246 C10 H16 N2 O2 C1=CC...
TZA PLP A:431;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MLY 1.81 Å EC: 2.6.1.62 CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE IN WITH THE CIS ISOMER OF AMICLENOMYCIN ESCHERICHIA COLI AMINOTRANSFERASE FOLD TYPE I SUBCLASS II AMICLENOMYCIN TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE INHIBITION OF THE BIOSYNTH BIOTIN BY THE ANTIBIOTIC AMICLENOMYCIN J.BIOL.CHEM. V. 277 43352 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1MLZ - TZA PLP n/a n/a
2 1MLY - ACZ PLP n/a n/a
3 1S07 - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1MLZ - TZA PLP n/a n/a
2 1MLY - ACZ PLP n/a n/a
3 1S07 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4WYC Kd = 15 uM 3VS C10 H9 N3 O c1cc(ccc1C....
2 4CXR - 2BG C8 H8 N2 S c1ccc2c(c1....
3 3TFU - PL8 C16 H22 N3 O7 P Cc1c(c(c(c....
4 4W1W ic50 = 0.195 uM 3G8 C18 H17 N O3 S CCN(CC)c1c....
5 4WYG Kd = 6.8 uM 3W1 C11 H12 Cl N3 c1cc(ccc1C....
6 4MQQ - 2B6 C16 H15 N4 O6 P S Cc1c(c(c(c....
7 4XEW ic50 = 0.44 uM 40N C16 H10 F N O3 c1ccc(c(c1....
8 4W1V ic50 = 0.659 uM 3GS C16 H14 F N O5 S COC(=O)c1c....
9 4XJP Kd = 108 nM 41N C20 H20 N2 O4 CC(=O)c1cc....
10 4WYF Kd = 21.7 uM 3VX C11 H9 N O2 CC(=O)Nc1c....
11 4WYA Kd = 6.9 uM 3VQ C10 H8 N2 O S c1ccnc(c1)....
12 4W1X - 3G9 C19 H19 Cl N2 O2 CC(=O)c1cc....
13 5KGT - 6SQ C20 H20 Cl N O2 CC(=O)c1cc....
14 4WYE Kd = 41.8 uM 3VW C12 H15 N O c1ccc(cc1)....
15 4CXQ - KAP C9 H17 N O3 C[C@@H](C(....
16 4WYD Kd = 11.7 uM 3VR C12 H15 N3 CNCc1ccc(c....
17 3LV2 - SFG C15 H23 N7 O5 c1nc(c2c(n....
18 5TE2 - 7B9 C16 H22 N3 O7 P Cc1c(c(c(c....
19 1MLZ - TZA PLP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TZA PLP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: TZA PLP; Similar ligands found: 2
No: Ligand Similarity coefficient
1 TZA PLP 1.0000
2 ACZ PLP 0.9684
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MLY; Ligand: ACZ PLP; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 1mly.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZM4 PLP 31.4685
2 4E3Q PMP 42.4242
3 4E3Q PMP 42.4242
4 4UOX PLP 45.9207
5 4UOX PLP 45.9207
6 4UOX PUT 45.9207
Pocket No.: 2; Query (leader) PDB : 1MLY; Ligand: ACZ PLP; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 1mly.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 27.5058
2 5G09 6DF 40.7925
3 5G09 6DF 40.7925
4 5G09 6DF 40.7925
5 5G09 6DF 40.7925
6 1SFF IK2 41.784
7 1SFF IK2 41.784
8 1SFF IK2 41.784
9 4E3Q PMP 42.4242
10 4E3Q PMP 42.4242
11 4UOX PLP 45.9207
12 4UOX PLP 45.9207
13 4UOX PUT 45.9207
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