X0000110711348200906121047
| Read Date | 2009-06-12 10:47:00 |
|---|---|
| Read Number | X0000110711348200906121047 |
| Week | 0 |
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | crystal |
| Cocktail | 9_C1045 |
| 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… |
| L-Proline | 7.0 | 0.1 % (w/v) | C1C[C@H](NC1)C(=O)O |
| L-Histidine | 7.0 | 0.1 % (w/v) | C1=C(N=CN1)C[C@@H](C(=O)O… |
| L-Isoleucine | 7.0 | 0.1 % (w/v) | CC[C@H](C)[C@@H](C(=O)O)N |
| L-Leucine | 7.0 | 0.1 % (w/v) | CC(C)C[C@@H](C(=O)O)N |
| L-Phenylalanine | 7.0 | 0.1 % (w/v) | c1ccc(cc1)C[C@@H](C(=O)O)… |
| L-Tryptophan | 7.0 | 0.1 % (w/v) | c1ccc2c(c1)c(c[nH]2)C[C@@… |
| L-Tyrosine | 7.0 | 0.1 % (w/v) | c1cc(ccc1C[C@@H](C(=O)O)N… |
| L-Methionine | 7.0 | 0.1 % (w/v) | O=C(O)[C@@H](N)CCSC |
| Glycine | 7.0 | 0.1 % (w/v) | C(C(=O)O)N |
| L-(-)-Threonine | 7.0 | 0.1 % (w/v) | C[C@H]([C@@H](C(=O)O)N)O |
| L-(+)-Lysine | 7.0 | 0.1 % (w/v) | C(CCN)C[C@@H](C(=O)O)N |
| L-Alanine | 7.0 | 0.1 % (w/v) | C[C@@H](C(=O)O)N |
| L-Arginine | 7.0 | 0.1 % (w/v) | C(C[C@@H](C(=O)O)N)CN=C(N… |
| L-Asparagine monohydrate | 7.0 | 0.1 % (w/v) | O=C(N)C[C@H](N)C(=O)O.O |
| L-Aspartic acid | 7.0 | 0.1 % (w/v) | C([C@@H](C(=O)O)N)C(=O)O |
| L-Glutamic acid | 7.0 | 0.1 % (w/v) | C(CC(=O)O)[C@@H](C(=O)O)N |
| L-Glutamine | 7.0 | 0.1 % (w/v) | O=C(N)CC[C@H](N)C(=O)O |
| L-Serine | 7.0 | 0.1 % (w/v) | C([C@@H](C(=O)O)N)O |
| L-Valine | 7.0 | 0.1 % (w/v) | CC(C)[C@@H](C(=O)O)N |
| 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 |