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Protein Details
- Crown ID
- 1a5v__2__1.a_2.a__1.c_2.c_2.c
- PLINDER ID
- 1a5v__2__1.A_2.A__1.C_2.C
- PDB ID
- 1a5v
- X-Ray Resolution (Å)
- 1.90
- X-Ray RSR
- 0.078
- X-Ray RSCC
- 0.971
- Receptor UniProt ID
- O92956
- Receptor CATH ID
- 3.30.420.10
- NCBI Taxon ID
- 11889
- Source Organism
- Rous sarcoma virus (strain Schmidt-Ruppin)
- CCD Codes in System
- Y3
- Fractional Buried Surface Area
- 0.9226
- RMSD Ligand
- 0.2997
- RMSD Pocket
- 0.2602
- RMSD Scaffold
- 0.0380
Ligand Details
- Chain
- 2.C
- CCD ID
- Y3
- SMILES
- CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12
- Murcko Scaffold
- c1ccc2ccccc2c1
- MW (Da)
- 359.337
- N and O Atoms
- 9
- Rotatable Bonds
- 3
- H-Bond Donors
- 2
- H-Bond Acceptors
- 8
- Heavy Atoms
- 23
- Rings
- 2
- TPSA
- 163.73
- QED
- 0.7392