Receptor
PDB id Resolution Class Description Source Keywords
2Z8P 1.8 Å EC: 4.2.-.- STRUCTURAL BASIS FOR THE CATALYTIC MECHANISM OF PHOSPHOTHREO SALMONELLA TYPHIMURIUM SHORT THREE-HELIX BUNDLE DISTORTED BETA-STRAND SHEET LYASE
Ref.: STRUCTURAL BASIS FOR THE CATALYTIC MECHANISM OF PHOSPHOTHREONINE LYASE. NAT.STRUCT.MOL.BIOL. V. 15 101 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY GLU ALA TPO VAL PTR ALA B:180;
 Valid;
 none;
 submit data
864.672 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q8Y 2 Å EC: 4.2.-.- STRUCTURAL INSIGHT INTO THE ENZYMATIC MECHANISM OF THE PHOPH LYASE SALMONELLA ENTERITIDIS ALPHA/BETA FOLD LYASE-TRANSFERASE COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO THE ENZYMATIC MECHANISM OF PATHOGENIC MAPK PHOSPHOTHREONINE LYASE MOL.CELL V. 28 899 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2Z8P - GLY GLU ALA TPO VAL PTR ALA n/a n/a
2 2Q8Y Kd = 102 uM GLN TYR PHE MET TPO GLU PTR VAL ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2Z8P - GLY GLU ALA TPO VAL PTR ALA n/a n/a
2 2Q8Y Kd = 102 uM GLN TYR PHE MET TPO GLU PTR VAL ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2Z8P - GLY GLU ALA TPO VAL PTR ALA n/a n/a
2 2Q8Y Kd = 102 uM GLN TYR PHE MET TPO GLU PTR VAL ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY GLU ALA TPO VAL PTR ALA; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLU ALA TPO VAL PTR ALA 1 1
2 GLU VAL PTR GLU SER PRO 0.465649 0.811594
3 LEU THR GLU PTR VAL ALA THR ARG 0.456897 0.896552
4 LEU ASP GLU PTR VAL ALA THR ARG 0.452991 0.910714
5 ACE PTR GLU GLU ILE GLU 0.448276 0.8
6 PHE SER ALA PTR VAL SER GLU GLU ASP 0.445312 0.819672
7 ACE PTR GLU GLU GLY 0.4375 0.87931
8 ACE PTR GLU GLU ILE ACE 0.431034 0.813559
9 SER PTR VAL ASN VAL GLN ASN 0.429688 0.9
10 ASP GLU PTR GLU ASN VAL ASP 0.428571 0.864407
11 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.419355 0.833333
12 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.417808 0.69697
13 ACE VAL PHE PHE ALA GLU ASP NH2 0.416667 0.655172
14 PTR LEU ARG VAL ALA 0.407692 0.825397
15 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 0.40625 0.813559
16 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.401316 0.726027
17 SEP GLN GLU PTR 0.4 0.862069
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY GLU ALA TPO VAL PTR ALA; 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 : 2Q8Y; Ligand: GLN TYR PHE MET TPO GLU PTR VAL ALA; 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: 2q8y.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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