 
    | Read Date | 2008-07-10 09:35:00 | 
|---|---|
| Read Number | X0000101651004200807100935 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1031 | 
| Screen | HWI Generation 8A | 
| Name | pH | Concentration | SMILES | 
|---|---|---|---|
| HEPES-Na | 6.8 | 0.0 M | OCCN1CCN(CC1)CCS(=O)(=O)O… | 
| HEPES-Na | 6.8 | 0.1 M | OCCN1CCN(CC1)CCS(=O)(=O)O… | 
| PEG 3350 | 6.8 | 25.0 % (w/v) | C(CO)OC(CO)OC(CO)OC(CO)OC… | 
| 1-Pentanesulfonic acid sodium salt monohydrate | 6.8 | 0.2 % (w/v) | [Na+].[O-]S(=O)(=O)CCCCC | 
| Salicylamide | 6.8 | 0.2 % (w/v) | O=C(c1ccccc1O)N | 
| Cytosine | 6.8 | 0.2 % (w/v) | O=C(O)C(N)CSCC[C@@H](C(=O… | 
| 4-Aminobutyric acid | 6.8 | 0.2 % (w/v) | C(CC(=O)O)CN | 
|  | BoR230 | 
|---|---|
| Spine Status | crystal hits | 
| Length | 207 aa | 
| Mass | 22.95 kD | 
| ext | 45950 | 
| pI | 5.80 | 
| Name | Putative uncharacterized protein | 
| Database References | NCBI UniProt | 
| PFAM | PF13489 | 
| PDB Structures | 3E8S (Best Match) | 
| Gene | |
|---|---|
| Organism | Bordetella bronchiseptica | 
| Genus | Bordetella | 
| Species | bronchiseptica | 
| Strain | |
| Sequence | MTLTSDDLRQIAALTLAHYDDNAVSFEVGTRDHDVSQNIAALLRHIQGDPPYAILDFGCGPGRDLKTFAALGHAAVGLDGAAHFVAMAHQATGCEVWQQDFLRLALPAGRFDGIFANASLFHVPTQELPRVLGELRDTLKPGGVLFCSNPRGGNEEGWSRGRYGVWHDWESWRALLEAAGFQALEHYYRPAGLPREQQQWLASVWRR |