X0000110711392200906121047
| Read Date | 2009-06-12 10:47:00 |
|---|---|
| Read Number | X0000110711392200906121047 |
| Week | 0 |
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | crystal |
| Cocktail | 9_C1056 |
| Screen | HWI Generation 9 |
| 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… |
| Gly-gly-gly | 7.0 | 0.2 % (w/v) | O=C(NCC(=O)O)CNC(=O)CN |
| Pentaglycine | 7.0 | 0.2 % (w/v) | O=C(NCC(=O)O)CNC(=O)CNC(=… |
| Leu-gly-gly | 7.0 | 0.2 % (w/v) | O=C(NCC(=O)O)CNC(=O)C(N)C… |
| Aspartame | 7.0 | 0.2 % (w/v) | O=C(O)C[C@H](N)C(=O)N[C@H… |
| Tyr-phe | 7.0 | 0.2 % (w/v) | O=C(O)C(NC(=O)C(N)Cc1ccc(… |
| Tyr-ala | 7.0 | 0.2 % (w/v) | O=C(O)C(NC(=O)C(N)Cc1ccc(… |
| Tacsimate | 7.0 | 55.0 % (v/v) | missing |
 | 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 |