Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACZ PLP A:731;
B:831;
Valid;
Valid;
none;
none;
submit data
423.362 n/a P(=O)...
NA A:702;
B:701;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
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 (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UHM - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4UHN - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 4UHO - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 6FYQ - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 6G4F - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
6 6G4B - SIN C4 H6 O4 C(CC(=O)O)....
7 4MQR - 2B9 C14 H15 N4 O6 P CC1=C(/C(=....
8 4MQP - 2B1 C15 H15 N4 O5 P S Cc1c(c(c(c....
9 4XJO Kd = 132 nM 41O C20 H17 Cl N2 O2 c1cc(cc(c1....
10 5KGS Kd = 74 nM 6SR C21 H20 N2 O4 c1cc2c(cc1....
11 4BQ0 - PLP C8 H10 N O6 P Cc1c(c(c(c....
12 1MLY - ACZ PLP n/a n/a
13 1S07 - PLP C8 H10 N O6 P Cc1c(c(c(c....
14 3DU4 - KAP C9 H17 N O3 C[C@@H](C(....
15 6S54 - PLP C8 H10 N O6 P Cc1c(c(c(c....
16 4BA5 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
17 6S4G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACZ PLP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ACZ PLP 1 1
2 CAN PLP 0.577778 0.852941
3 GAB PLP 0.548387 0.935484
4 PLP 2KZ 0.488889 0.830769
5 PLP CYS 0.456522 0.890625
6 PLP SER 0.455556 0.859375
7 PLP PMP 0.451219 0.83871
8 GLU PLP 0.447917 0.90625
9 SEP PLP 0.446809 0.904762
10 TYR PLP 0.44 0.951613
11 PLP 2TL 0.43617 0.846154
12 ASP PLP 0.431579 0.809524
13 PLP BH2 0.431579 0.846154
14 PXG 0.43 0.890625
15 PSZ 0.428571 0.8
16 LEU PLP 0.427083 0.876923
17 PY5 0.40625 0.811594
18 PLP 2ML 0.40404 0.850746
19 76U 0.40404 0.823529
20 PLP 0A0 0.402062 0.850746
21 RW2 0.401961 0.8
22 EA5 0.4 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: ACZ PLP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 TZA 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
APoc FAQ
Feedback