| Read Date | 2009-11-09 13:09:00 | 
|---|---|
| Read Number | X0000115340404200911091309 | 
| Week | <nil> | 
| Verified Crystal | |
| 3-Way Classifier | |
| 10-Way Classifier | |
| Cocktail | 10_C0989 | 
| Screen | HWI Generation 10 | 
| 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… | 
| Ala-Ala | 6.8 | 0.2 % (w/v) | O=C(NC(C(=O)O)C)C(N)C | 
| Leu-gly-gly | 6.8 | 0.2 % (w/v) | O=C(NCC(=O)O)CNC(=O)C(N)C… | 
| Aspartame | 6.8 | 0.2 % (w/v) | O=C(O)C[C@H](N)C(=O)N[C@H… | 
| Gly-tyr | 6.8 | 0.2 % (w/v) | O=C(O)[C@@H](NC(=O)CN)Cc1… | 
| L-seryl-L-glutamic acid | 6.8 | 0.2 % (w/v) | O=C(NC(C(=O)O)CCC(=O)O)C(… | 
| Tyr-ala | 6.8 | 0.2 % (w/v) | O=C(O)C(NC(=O)C(N)Cc1ccc(… | 
![]()  | PgR96 | 
|---|---|
| Spine Status | crystal hits | 
| Length | 471 aa | 
| Mass | 51.64 kD | 
| ext | 46300 | 
| pI | 4.91 | 
| Name | Metallo-beta-lactamase superfamily protein  | 
| Database References | NCBI UniProt | 
| PFAM | PF00753 | 
| PDB Structures | 3TP9 (Best Match) | 
| Gene | |
|---|---|
| Organism | Porphyromonas gingivalis | 
| Genus | Porphyromonas | 
| Species | gingivalis | 
| Strain | |
| Sequence | MKVEQIYTGCLAQGAYYITSMGEAAIIDPLREITPYLERLKRDGVKLKYILETHFHADFVSGHLDLSRATGAPIVYGPTAKPGFDAIVAEDNQIFELGNVKIRVLHTPGHTMESSCFLLIDENGREAALFSGDTLFLGDVGRPDLAQKAANLTQEELAGLLYDSLYTKILPLSDDIIVYPAHGAGSACGKNMMQETVDSLGNQKRVNYALNQPGKEAFIASVIEGLLPPPAYFGGNVAMNKMGYDSIDNVMERGLSALSATDFEAIAKTSDALVLDTRAPGVFAQGFIPRSINIGLDGDFAPWVGTMIVDVKQPLLLVADPGREQEVITRLSRVGFDQVLGYLDGGFDTWNASGKEIDHVECITANEFAERFCPEESLVFDVRKESEYAAEHVEGAYSRPLAYINDWIQDIPRDRHFYLHCIGGYRSMIASSILLSRGYRNFTDIEGGFASIAQTGVPKTDYVCQSKVSKK |