Receptor
PDB id Resolution Class Description Source Keywords
3QBX 2.1 Å EC: 2.7.1.1 CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA 1,6-ANHYDRO-N- ACTETYLMURAMIC ACID KINASE (ANMK) BOUND TO 1,6-ANHYDRO-N- A CTETYLMURAMIC ACID PSEUDOMONAS AERUGINOSA ACETATE AND SUGAR KINASES HSP70 ACTIN SUPERFAMILY KINASEANHYDRO-N-ACTETYLMURAMIC ACID BINDING GLYCOSIDE HYDROLASEBINDING CARBOHYDRATE METABOLISM PEPTIDOGLYCAN RECYCLING TRANSFERASE
Ref.: MOLECULAR BASIS OF 1,6-ANHYDRO BOND CLEAVAGE AND PH TRANSFER BY PSEUDOMONAS AERUGINOSA 1,6-ANHYDRO-N-ACETYLMURAMIC ACID KINASE. J.BIOL.CHEM. V. 286 12283 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AH0 A:653;
B:654;
 Valid;
Valid;
 none;
none;
 submit data
275.255 C11 H17 N O7 C[C@H...
SO4 A:372;
B:372;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MO4 1.67 Å EC: 2.7.1.1 CRYSTAL STRUCTURE OF ANMK BOUND TO AMPPCP PSEUDOMONAS AERUGINOSA ATPASE DOMAIN KINASE ATP-BINDING TRANSFERASE
Ref.: CONFORMATIONAL ITINERARY OF PSEUDOMONAS AERUGINOSA 1,6-ANHYDRO-N-ACETYLMURAMIC ACID KINASE DURING ITS CYCLE. J.BIOL.CHEM. V. 289 4504 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3QBW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4MO5 - AH0 C11 H17 N O7 C[C@H](C(=....
3 4MO4 Kd = 0.06 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3QBX - AH0 C11 H17 N O7 C[C@H](C(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3QBW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4MO5 - AH0 C11 H17 N O7 C[C@H](C(=....
3 4MO4 Kd = 0.06 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3QBX - AH0 C11 H17 N O7 C[C@H](C(=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3QBW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4MO5 - AH0 C11 H17 N O7 C[C@H](C(=....
3 4MO4 Kd = 0.06 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3QBX - AH0 C11 H17 N O7 C[C@H](C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AH0; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AH0 1 1
2 89A 0.671642 0.882353
3 AMU 0.507692 0.833333
4 AH0 ALA FGA LYS 0.46875 0.737705
5 491 0.438356 0.672414
6 NAG AH0 0.435294 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: AH0; Similar ligands found: 1
No: Ligand Similarity coefficient
1 K99 0.8704
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MO4; Ligand: ACP; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 4mo4.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4BGB ADP 23.6923
2 4BGB ADP 23.6923
3 4ZLU ADP 45.283
4 4ZLU 4PW 45.283
5 4ZLU ADP 45.283
6 4ZLU 4PW 45.283
Pocket No.: 2; Query (leader) PDB : 4MO4; Ligand: ACP; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4mo4.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4BGB ADP 23.6923
Pocket No.: 3; Query (leader) PDB : 4MO4; Ligand: ACP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 4mo4.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 4BGB ADP 23.6923
2 4BGB ADP 23.6923
Pocket No.: 4; Query (leader) PDB : 4MO4; Ligand: ACP; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 4mo4.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 4BGB ADP 23.6923
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