X0000111220804200907091310
| Read Date | 2009-07-09 13:10:00 |
|---|---|
| Read Number | X0000111220804200907091310 |
| Week | 2 |
| Verified Crystal | Crystal |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 9_C1017 |
| 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… |
| PEG 3350 | 6.8 | 25.0 % (w/v) | C(CO)OC(CO)OC(CO)OC(CO)OC… |
| Cystamine dihydrochloride | 6.8 | 0.2 % (w/v) | Cl.Cl.S(SCCN)CCN |
| Spermine | 6.8 | 0.2 % (w/v) | C(CCNCCCN)CNCCCN |
| Sarcosine | 6.8 | 0.2 % (w/v) | O=C(O)CNC |
| 1,4-Diaminobutane | 6.8 | 0.2 % (w/v) | C(CCN)CN |
| Diloxanide furoate | 6.8 | 0.2 % (w/v) | O=C(Oc1ccc(N(C(=O)C(Cl)Cl… |
 | NsR85 |
|---|---|
| Spine Status | crystal hits |
| Length | 483 aa |
| Mass | 54.71 kD |
| ext | 96260 |
| pI | 5.16 |
| Name | Valyl-tRNA synthetase (EC 6.1.1.9) (Valine--tRNA ligase) (ValRS) |
| Database References | NCBI UniProt |
| PFAM | PF12899 |
| PDB Structures | 2QFU (Best Match) |
| Gene | |
|---|---|
| Organism | Nostoc sp. |
| Genus | Nostoc |
| Species | sp. PCC 7120 |
| Strain | |
| Sequence | MQKLNGLLTNDIIEESAWEALEKSILYYKGRPVGTVAAFDASVEALNYDQCFVRDFVSSALIFLIKGKTDIVRNFLEETLKLQPKDRQLDAYKPGRGLIPASFKVVSDNGEEYLEADFGEHAIARVTPVDSCLWWILLLRAYVVASKDFSLAYQPEFQTGIRLIMEICLANRFDMYPTLLVPDGACMIDRRLGIYGHPLELQVLFYAALRAAREMLICQGNQDVVEAIDNRLPLLCAHIRQHYWIDINRLNAIYRFKSEEYGKAAVNLFNIYVDSIPYYELDKWLPKKGGYLAGNVGPSQLDTRFFALGNLMAIISDLATEEQSQAIMTLIEDRWEDLVGDMPMKICYPALENEEYRIVTGCDPKNIPWSYHNAGSWPVLMWMLAAASVKAGKPYIAGKAIEIAQARLLEDEWPEYYDGKKGRLIGKQARKYQTWTIAGFLLAAELMKNPSLLSLISFDKLPSELVSRACEFEIGSVDASISR |