Receptor
PDB id Resolution Class Description Source Keywords
3TD5 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF OMPA-LIKE DOMAIN FROM ACINETOBACTER BAU COMPLEX WITH L-ALA-GAMMA-D-GLU-M-DAP-D-ALA-D-ALA ACINETOBACTER BAUMANNII OMPA-LIKE FOLD CELL-WALL ATTACHMENT PEPTIDOGLYCAN-BINDINGPROTEIN-PEPTIDE BINDING PROTEIN COMPLEX
Ref.: MECHANISM OF ANCHORING OF OMPA PROTEIN TO THE CELL PEPTIDOGLYCAN OF THE GRAM-NEGATIVE BACTERIAL OUTER FASEB J. V. 26 219 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA FGA API DAL DAL I:401;
J:401;
K:401;
L:401;
M:401;
N:401;
O:401;
P:401;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
529.527 n/a O=C([...
CL A:1;
B:2;
C:3;
E:4;
F:5;
G:6;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TD3 1.59 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF OMPA-LIKE DOMAIN FROM ACINETOBACTER BAU COMPLEX WITH GLYCINE ACINETOBACTER BAUMANNII OMPA-LIKE FOLD CELL-WALL ATTACHMENT PEPTIDOGLYCAN-BINDINGPROTEINPEPTIDE BINDING PROTEIN
Ref.: MECHANISM OF ANCHORING OF OMPA PROTEIN TO THE CELL PEPTIDOGLYCAN OF THE GRAM-NEGATIVE BACTERIAL OUTER FASEB J. V. 26 219 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3TD4 Kd = 2.2 uM API C7 H14 N2 O4 C(C[C@H](C....
2 3TD5 - ALA FGA API DAL DAL n/a n/a
3 3TD3 Kd = 0.59 uM GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3TD4 Kd = 2.2 uM API C7 H14 N2 O4 C(C[C@H](C....
2 3TD5 - ALA FGA API DAL DAL n/a n/a
3 3TD3 Kd = 0.59 uM GLY C2 H5 N O2 C(C(=O)O)N
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3TD4 Kd = 2.2 uM API C7 H14 N2 O4 C(C[C@H](C....
2 3TD5 - ALA FGA API DAL DAL n/a n/a
3 3TD3 Kd = 0.59 uM GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA FGA API DAL DAL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA FGA API DAL DAL 1 1
2 ALA ALA ALA 0.402985 0.764706
3 ALA DGL 0.4 0.911765
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA FGA API DAL DAL; 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 : 3TD3; Ligand: GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3td3.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TD3; Ligand: GLY; 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: 3td3.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TD3; Ligand: GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3td3.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3TD3; Ligand: GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3td3.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3TD3; Ligand: GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3td3.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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