Receptor
PDB id Resolution Class Description Source Keywords
2W5T 1.6 Å EC: 7.-.-.- STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. STAPHYLOCOCCUS AUREUS TRANSMEMBRANE GLYCEROL-PHOSPHATE CELL WALL BIOGENESIS/DEGRADATION LTAS MEMBRANE SECRETED TRANSFERASE CELL MEMBRANE
Ref.: STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. PROC.NATL.ACAD.SCI.USA V. 106 1584 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1643;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GP9 A:1644;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(C...
MN A:1642;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W5T 1.6 Å EC: 7.-.-.- STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. STAPHYLOCOCCUS AUREUS TRANSMEMBRANE GLYCEROL-PHOSPHATE CELL WALL BIOGENESIS/DEGRADATION LTAS MEMBRANE SECRETED TRANSFERASE CELL MEMBRANE
Ref.: STRUCTURE-BASED MECHANISM OF LIPOTEICHOIC ACID SYNTHESIS BY STAPHYLOCOCCUS AUREUS LTAS. PROC.NATL.ACAD.SCI.USA V. 106 1584 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2W5T - GP9 C3 H7 O6 P C(C(COP(=O....
2 2W5R - GP9 C3 H7 O6 P C(C(COP(=O....
3 2W5S - GP9 C3 H7 O6 P C(C(COP(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 2W5T - GP9 C3 H7 O6 P C(C(COP(=O....
2 2W5R - GP9 C3 H7 O6 P C(C(COP(=O....
3 2W5S - GP9 C3 H7 O6 P C(C(COP(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2W5T - GP9 C3 H7 O6 P C(C(COP(=O....
2 2W5R - GP9 C3 H7 O6 P C(C(COP(=O....
3 2W5S - GP9 C3 H7 O6 P C(C(COP(=O....
4 4UOR - GP9 C3 H7 O6 P C(C(COP(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GP9; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GP9 1 1
2 G3P 0.551724 0.90625
3 1GP 0.551724 0.90625
4 GPE 0.421053 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W5T; Ligand: GP9; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 2w5t.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZW5 COA 0.01859 0.40786 2.32558
2 2CBZ ATP 0.01398 0.40273 2.53165
3 4P6X HCY 0.01594 0.40794 2.7451
4 1YNH SUO 0.02525 0.40406 3.06604
5 4E1Z 0MX 0.0244 0.40186 3.78007
6 5VEO AMP 0.001148 0.45833 3.84615
7 5EGH PC 0.001842 0.44083 4.24528
8 3WBF API 0.04602 0.4001 4.59016
9 2PS1 PRP 0.02194 0.40097 8.40708
10 5LIA 6XN 0.007194 0.46731 8.72641
11 2GSU AMP 0.001947 0.44933 9.92366
12 5B5S BOG 0.02306 0.40392 11.1111
13 4KM2 TOP 0.04362 0.40621 11.1732
14 4KM2 ATR 0.04233 0.40599 11.1732
15 1E2S CSN 0.01294 0.40473 15.3302
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