Receptor
PDB id Resolution Class Description Source Keywords
2Y2B 1.9 Å EC: 3.5.1.28 CRYSTAL STRUCTURE OF AMPD IN COMPLEX WITH REACTION PRODUCTS CITROBACTER FREUNDII HYDROLASE PEPTIDOGLYCAN AMIDASE AMIDASE_2 FAMILY ACTIVATIMECHANISM
Ref.: CRYSTAL STRUCTURES OF BACTERIAL PEPTIDOGLYCAN AMIDA AND AN UNPRECEDENTED ACTIVATION MECHANISM. J.BIOL.CHEM. V. 286 31714 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AH0 A:1000;
 Valid;
 none;
 submit data
275.255 C11 H17 N O7 C[C@H...
MHI A:1001;
 Valid;
 none;
 submit data
390.389 C15 H26 N4 O8 C[C@@...
ZN A:1180;
B:1180;
C:1180;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y2B 1.9 Å EC: 3.5.1.28 CRYSTAL STRUCTURE OF AMPD IN COMPLEX WITH REACTION PRODUCTS CITROBACTER FREUNDII HYDROLASE PEPTIDOGLYCAN AMIDASE AMIDASE_2 FAMILY ACTIVATIMECHANISM
Ref.: CRYSTAL STRUCTURES OF BACTERIAL PEPTIDOGLYCAN AMIDA AND AN UNPRECEDENTED ACTIVATION MECHANISM. J.BIOL.CHEM. V. 286 31714 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2Y2B - MHI C15 H26 N4 O8 C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2Y2B - MHI C15 H26 N4 O8 C[C@@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2Y2B - MHI C15 H26 N4 O8 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
Ligand no: 2; Ligand: MHI; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 MHI 1 1
2 J0J 0.75 0.971429
3 3KS 0.728814 0.971429
4 KSN 0.465517 0.911765
5 KKA 0.442623 0.815789
6 VB1 0.439394 0.871795
7 3GC 0.431034 0.789474
8 M8F 0.428571 0.809524
9 W05 0.41791 0.894737
10 ACV 0.405797 0.85
11 6X4 0.402597 0.809524
Similar Ligands (3D)
Ligand no: 1; Ligand: AH0; Similar ligands found: 1
No: Ligand Similarity coefficient
1 K99 0.8704
Ligand no: 2; Ligand: MHI; 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 : 2Y2B; Ligand: MHI; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2y2b.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4BOL J0J 35.2941
2 4BOL J0J 35.2941
Pocket No.: 2; Query (leader) PDB : 2Y2B; Ligand: AH0; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2y2b.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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