 
    | Read Date | 2008-06-27 09:18:00 | 
|---|---|
| Read Number | X0000101221172200806270918 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1037 | 
| 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… | 
| 1,3,5-Pentanetricarboxylic acid | 6.8 | 0.2 % (w/v) | O=C(O)CCC(C(=O)O)CCC(=O)O | 
| Poly(3-hydroxybutyric acid) | 6.8 | 0.2 % (w/v) | O=C(O)CC(O)CC.O=C(O)CC(O)… | 
| Benzoic acid | 6.8 | 0.2 % (w/v) | c1ccc(cc1)C(=O)O | 
| 4-Hydroxyphenylacetic acid | 6.8 | 0.2 % (w/v) | O=C(O)Cc1ccc(O)cc1 | 
|  | LbR18 | 
|---|---|
| Spine Status | crystal hits | 
| Length | 347 aa | 
| Mass | 37.80 kD | 
| ext | 40340 | 
| pI | 5.09 | 
| Name | 3-carboxymuconate cyclase | 
| Database References | NCBI UniProt | 
| PFAM | PF10282 | 
| PDB Structures | 3HFQ (Best Match) | 
| Gene | |
|---|---|
| Organism | Lactobacillus brevis | 
| Genus | Lactobacillus | 
| Species | brevis | 
| Strain | |
| Sequence | MTEEFYIGTYTKRISRGIYRVSVDTTTPKLMDCEWLASAGSPTYIAKSNAKRLYVINKKETDGQTHGGLIIYDMSEDKPRAIQQLLDLGSSPAYVAVDEDRQLVYTANYHTAAVDVYAINPDGTLKRTDQVIDQDPVGPAPEQADGPHPHFADLTPDNRLVVCDLGSDRVYVYDVSATGKLSAVSHLDLPAGYGPRHIVFDAKKGVAYLVGELSSNVATLSYDTATGTFTVKTIVSTIPDDWTAHNGAAAIRLSADGKFVYVSNRGNNSLAVFASDEAGQLTLVQRISTEGDFPRDFNWTANQRLVLVVNQNSDNASLFERDAQSGKLTLVQKDFMVPEGVSVLPAK |