X0000110710980200906121052
| Read Date | 2009-06-12 10:52:00 |
|---|---|
| Read Number | X0000110710980200906121052 |
| Week | 0 |
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | crystal |
| Cocktail | 9_C1025 |
| Screen | HWI Generation 9 |
| Name | pH | Concentration | SMILES |
|---|---|---|---|
| 1,6-hexanediol | 6.8 | 0.2 % (w/v) | OCCCCCCO |
| 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… |
| 1,2,3-Heptanetriol | 6.8 | 0.2 % (w/v) | OC(CCCC)C(O)CO |
| 1,3-Propanediol | 6.8 | 0.2 % (w/v) | C(CO)CO |
| 1,4-Butanediol | 6.8 | 0.2 % (w/v) | C(CCO)CO |
| Resorcinol | 6.8 | 0.2 % (w/v) | c1cc(cc(c1)O)O |
 | MsR9 |
|---|---|
| Spine Status | crystal hits |
| Length | 384 aa |
| Mass | 41.64 kD |
| ext | 37930 |
| pI | 4.92 |
| Name | NA |
| Database References | NCBI UniProt |
| PFAM | PF00149 |
| PDB Structures | 4TUI (Best Match) |
| Gene | |
|---|---|
| Organism | Mycobacterium smegmatis |
| Genus | Mycobacterium |
| Species | smegmatis |
| Strain | |
| Sequence | MRFLHTADWQLGMTRHFLNGEAQPRYSASRREAVASLGEIAKRTGAEFVVVSGDVFEHNQLAPRDVSQSLEAMRAIGVPVYLLPGNHDPLDASSVYTSALFVAERPDNVVVLDRAGVHEVRPGVQIVAAPWRSKAPTSDLIGDVLADLPADGVTRVLVGHGGVDILDPDKNKPSLIRMAAVEDALARGAVHYVALGDKHSRTEVGGSGRVWYSGSPEVTNYDDIESDPGHVLVVDIDENDARRAVRVESEKVGRWRFVTLRRSVDTDRDIADLDLNLDLLDDKERTVVRLALTGSLTVTDKAKLDECLDRYARLFAALTTWERHTDIAVIPADGEFDDLGIGGFAAAAVDELVATARSEAAEAEDARAALGLLLRLVDRDKGAA |