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Protein Details
- Crown ID
- 2gr3__1__1.a__1.b_1.b
- PLINDER ID
- 2gr3__1__1.A__1.B
- PDB ID
- 2gr3
- X-Ray Resolution (Å)
- 1.50
- X-Ray RSR
- 0.098
- X-Ray RSCC
- 0.975
- Receptor UniProt ID
- Q52437
- Receptor CATH ID
- 3.50.50.60
- NCBI Taxon ID
- 307
- Source Organism
- Pseudomonas sp. KKS102
- CCD Codes in System
- FAD
Ligand Details
- Chain
- 1.B
- CCD ID
- FAD
- SMILES
- Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
- Murcko Scaffold
- O=c1nc2n(CCCCCO[PH](=O)O[PH](=O)OCC3CCC(n4cnc5cncnc54)O3)c3ccccc3nc-2c(=O)[nH]1
- Rotatable Bonds
- 13
- H-Bond Donors
- 9
- H-Bond Acceptors
- 21
- Heavy Atoms
- 53