 
    | Read Date | 2008-06-27 08:47:00 | 
|---|---|
| Read Number | X0000101211168200806270847 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1036 | 
| 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… | 
| Pyromellitic acid | 6.8 | 0.2 % (w/v) | O=C(O)c1cc(c(cc1C(=O)O)C(… | 
| 3-Indolebutyric acid | 6.8 | 0.2 % (w/v) | C1=CC=C2C(=C1)C(=CN2)CCCC… | 
| Hexadecanedioic acid | 6.8 | 0.2 % (w/v) | O=C(O)CCCCCCCCCCCCCCC(=O)… | 
| Oxamic acid | 6.8 | 0.2 % (w/v) | O=C(N)C(=O)O | 
| Sebacic acid | 6.8 | 0.2 % (w/v) | O=C(O)CCCCCCCCC(=O)O | 
| Suberic acid | 6.8 | 0.2 % (w/v) | O=C(O)CCCCCCC(=O)O | 
|  | BuR145A | 
|---|---|
| Spine Status | crystal hits | 
| Length | 157 aa | 
| Mass | 18.02 kD | 
| ext | 8940 | 
| pI | 5.18 | 
| Name | FAD-binding monooxygenase, PheA/TfdB family; possible polyketidehydroxylase (EC 1.14.13.-) | 
| Database References | NCBI UniProt | 
| PFAM | PF01494 | 
| PDB Structures | 5BRT (Best Match) | 
| Gene | |
|---|---|
| Organism | Bacillus thuringiensis | 
| Genus | Bacillus | 
| Species | thuringiensis | 
| Strain | |
| Sequence | HNIEYLLIERHLSTAIHPKAGGITFRTMELFRELGLEQRIRSTGKTLENCRGRIAVHTIAEANQEELAQMRANQYENDEKLLQKIEEISPSKQTACYQITLEEIMLQEARTLGGELSFYHELVSYEQNEQGVIATIRNRETEKESVIHCDYVIAADG |