 
    | Read Date | 2008-08-28 09:48:00 | 
|---|---|
| Read Number | X0000103230812200808280948 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1019 | 
| 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… | 
| Sulfaguanidine | 6.8 | 0.2 % (w/v) | O=S(=O)(/N=C(\N)N)c1ccc(N… | 
| 1,2-Diaminocyclohexane sulfate | 6.8 | 0.2 % (w/v) | O=S(=O)(O)O.N[C@H]1CCCC[C… | 
| Spermine | 6.8 | 0.2 % (w/v) | C(CCNCCCN)CNCCCN | 
| Diloxanide furoate | 6.8 | 0.2 % (w/v) | O=C(Oc1ccc(N(C(=O)C(Cl)Cl… | 
| Fumaric acid | 6.8 | 0.2 % (w/v) | C(=C/C(=O)O)\C(=O)O | 
|  | CdR103D | 
|---|---|
| Spine Status | crystal hits | 
| Length | 248 aa | 
| Mass | 27.17 kD | 
| ext | 36900 | 
| pI | 4.66 | 
| Name | Putative iron transport system binding (Secreted) protein | 
| Database References | NCBI UniProt | 
| PFAM | PF01497 | 
| PDB Structures | 3LI2 (Best Match) | 
| Gene | |
|---|---|
| Organism | Corynebacterium diphtheriae | 
| Genus | Corynebacterium | 
| Species | diphtheriae | 
| Strain | |
| Sequence | SSIRVVALDWRYEEILHALGITPVGIVEIGKSKEPQTLKGELEGVTSVGQAKQPNLEVIQSLEPDLILASPTRQAAIMDQLKEIAPTHAYGDTSYTEVLDAMDDIATKVGAEDKAKEVRTRIESKIAQAKNKVEPGTRTALIGWSKNTLYTWVKDSFAGSLLTAAGYEYGYDGEKSAIESKTDVAELTGDKLPEMKLDVMYLYNDIEGFRSSPYADVVSNIVDVEQDTWSRSRGPLAAEAMLDQIINS |