BMRB Entry 19826
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PDB ID: 2mlm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19826
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Title: Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor PubMed: 25282649
Deposition date: 2014-03-03 Original release date: 2014-11-17
Authors: Jaudzems, Kristaps; Zhulenkovs, Dmitry; Leonchiks, Ainars
Citation: Jaudzems, Kristaps; Zhulenkovs, Dmitry; Leonchiks, Ainars. "Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor" Bioorg. Med. Chem. ., .-. (2014).
Assembly members:
sortase_A, polymer, 148 residues, 16807.176 Da.
entity_2W7, non-polymer, 344.471 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
sortase_A: MQAKPQIPKDKSKVAGYIEI
PDADIKEPVYPGPATPEQLN
RGVSFAEENESLDDQNISIA
GHTFIDRPNYQFTNLKAAKK
GSMVYFKVGNETRKYKMTSI
RDVKPTDVEVLDEQKGKDKQ
LTLITCDDYNEKTGVWEKRK
IFVATEVK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 660 |
| 15N chemical shifts | 148 |
| 1H chemical shifts | 1035 |
Additional metadata:
Related Database Links:
| BMRB | 16270 19624 |
| PDB | 1IJA 1T2O 1T2P 1T2W 2KID 2MLM |
| DBJ | BAB43619 BAB58690 BAB96313 BAF68698 BAF79395 |
| EMBL | CAG41587 CAG44229 CAI82090 CAQ50958 CBI50513 |
| GB | AAD48437 AAW37316 ABD22861 ABD31836 ABQ50328 |
| REF | WP_000759357 WP_000759358 WP_000759359 WP_000759360 WP_000759361 |
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