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Protein Details
- Crown ID
- 2grj__2__1.b__1.k_1.k
- PLINDER ID
- 2grj__1__1.A__1.I
- PDB ID
- 2grj
- X-Ray Resolution (Å)
- 2.60
- X-Ray RSR
- 0.109
- X-Ray RSCC
- 0.977
- Receptor UniProt ID
- Q9X1A7
- Receptor CATH ID
- 3.40.50.300
- NCBI Taxon ID
- 2336
- Source Organism
- Thermotoga maritima
- CCD Codes in System
- ADP
Ligand Details
- Chain
- 1.I
- CCD ID
- ADP
- SMILES
- Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
- Murcko Scaffold
- c1ncc2ncn(C3CCCO3)c2n1
- Rotatable Bonds
- 6
- H-Bond Donors
- 6
- H-Bond Acceptors
- 12
- Heavy Atoms
- 27