 
    | Read Date | 2008-08-28 09:49:00 | 
|---|---|
| Read Number | X0000103230772200808280949 | 
| Week | 0 | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 8A_C1009 | 
| 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… | 
| Nicotinamide | 6.8 | 0.2 % (w/v) | c1cc(cnc1)C(=O)N | 
| Caffeine | 6.8 | 0.2 % (w/v) | CN1C=NC2=C1C(=O)N(C(=O)N2… | 
| Cytosine | 6.8 | 0.2 % (w/v) | O=C(O)C(N)CSCC[C@@H](C(=O… | 
| Gallic acid | 6.8 | 0.2 % (w/v) | O=C(O)c1cc(O)c(O)c(O)c1 | 
| Sodium pyrophosphate tetrabasic decahydrate | 6.8 | 0.2 % (w/v) | [Na+].[Na+].[Na+].[Na+].[… | 
|  | 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 |