 
    | Read Date | 2009-07-14 10:39:00 | 
|---|---|
| Read Number | X0000111481008200907141039 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 9_C1032 | 
| 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… | 
| Pimelic acid | 6.8 | 0.1 % (w/v) | O=C(O)CCCCCC(=O)O | 
| Fumaric acid | 6.8 | 0.1 % (w/v) | C(=C/C(=O)O)\C(=O)O | 
| Dodecanedioic acid | 6.8 | 0.1 % (w/v) | O=C(O)CCCCCCCCCCC(=O)O | 
| Glutaric acid | 6.8 | 0.1 % (w/v) | C(CC(=O)O)CC(=O)O | 
| Hexadecanedioic acid | 6.8 | 0.1 % (w/v) | O=C(O)CCCCCCCCCCCCCCC(=O)… | 
| Maleic acid | 6.8 | 0.1 % (w/v) | O=C(O)\C=C/C(=O)O | 
| Oxamic acid | 6.8 | 0.1 % (w/v) | O=C(N)C(=O)O | 
| Sebacic acid | 6.8 | 0.1 % (w/v) | O=C(O)CCCCCCCCC(=O)O | 
| Suberic acid | 6.8 | 0.1 % (w/v) | O=C(O)CCCCCCC(=O)O | 
|  | 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 |