 
    | Read Date | 2008-06-24 11:44:00 | 
|---|---|
| Read Number | X0000100981008200806241144 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1032 | 
| 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… | 
| 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 | 
|  | BtR205A | 
|---|---|
| Spine Status | crystal hits | 
| Length | 423 aa | 
| Mass | 46.47 kD | 
| ext | 74260 | 
| pI | 5.26 | 
| Name | Hypothetical protein | 
| Database References | NCBI UniProt | 
| PFAM | PF01833 | 
| PDB Structures | 3TC9 (Best Match) | 
| Gene | |
|---|---|
| Organism | Bacteroides thetaiotaomicron | 
| Genus | Bacteroides | 
| Species | thetaiotaomicron | 
| Strain | |
| Sequence | GLKNSDLVFQTYLPTEGAKGTELSIRGNNFGEDISQVQVWVNEKEAEVISVTSTRIMARVAEASGSGVVKVRVGEVVYSYPDLFSYGYIRNVYTVAGNGQGTTVDGAYLQASVQWPIVMVYDKWDDAILFLQDEGEHRIRRMKDGKIETLCSTKSLVNNARSICFSLDGDTLFIGNDNANNYVANPVAVGMVTRKGGFKDLKSYIPSEKLAQPHINGIAVNPVDGSLFTYHWGRHVFRYNKATETCEYVITRDQFNELVVGLFPDADGNMQNIGGDGGYGGLAFSPDGKTLYWNGRDPYQGILKADYDLVTKKCTNLTRFAGNGVWGIIDGQGVSSRMDQPNQIAVDAEGNLLVTTVYGRTVRKITPEGYVSTYAGIGYQTGYVDGLAAEAKFNKPYGIAIDAQGNVYVGDCENWRIRVIKEE |