X0000100420804200806131057
| Read Date | 2008-06-13 10:57:00 |
|---|---|
| Read Number | X0000100420804200806131057 |
| Week | 2 |
| Verified Crystal | Crystal |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1017 |
| Screen | HWI Generation 8A |
| 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… |
 | BjR119 |
|---|---|
| Spine Status | crystal hits |
| Length | 486 aa |
| Mass | 53.57 kD |
| ext | 72420 |
| pI | 6.38 |
| Name | Oxidoreductase |
| Database References | NCBI UniProt |
| PFAM | PF13738 |
| PDB Structures | 4A9W (Best Match) |
| Gene | |
|---|---|
| Organism | Bradyrhizobium japonicum |
| Genus | Bradyrhizobium |
| Species | japonicum |
| Strain | |
| Sequence | MTTMTPDAAGLAALEARLKQDLAWLELPAKSWVPRRVVDGKSVVDVVIVGAGMAGLVASAMLRRLGVDNQLVLDRARAGEEGPWVTFARMRTLRSPKELTGPAMGMPALTFRAFYEAQYGRQAWQALDRAPRTMWMDYLIWYRKVLDLPVRNGVSVERIHARTDELFALDISEGGTSRQILARHVVLATGRDGLGGAYVPSLCDGIDRRFWAHSSAPIDFERLRGRRVAVVGAGASAMDNAAMALEAGAARLDLFIRRADIPRVNKFTGIGSQGVVHGFAGLSDDWKWRFLDHTLKAQTPPPRQSVLRVSAYPQAHFHLASPIDDLAVAGDHLTVTTPKGRYATDFIIFGTGFKVDLALRDELAEFAPHIRFWCDRFPAPDGMDNAELENSPDLGDSFQFLEKEPGACPMLARLHCFNYPATLSHGKLSGDIPAISEGADRLARGIVRRLFVEDREIHFANLKAFATPELAGDEWQDADVTHQPAE |