BMRB Entry 16203
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PDB ID: 2kge
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16203
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Title: NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor PubMed: 19361520
Deposition date: 2009-03-08 Original release date: 2009-04-22
Authors: Crump, Matthew; Evans, Simon; Williams, Christopher
Citation: Evans, Simon; Williams, Christopher; Arthur, Christopher; Ploskon, Eliza; Wattana-Amorn, Pakorn; Cox, Russell; Crosby, John; Willis, Christine; Simpson, Thomas; Crump, Matthew. "Probing the interactions of early polyketide intermediates with the actinorhodin ACP from S. coelicolor A3(2)" J. Mol. Biol. 389, 511-528 (2009).
Assembly members:
3,5-dioxohexyl ACP, polymer, 86 residues, 9133.160 Da.
N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, non-polymer, 470.475 Da.
Natural source: Common Name: Streptomyces coelicolor Taxonomy ID: 1902 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces coelicolor
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
3,5-dioxohexyl ACP: MATLLTTDDLRRALVESAGE
TDGTDLSGDFLDLRFEDIGY
DSLALMETAARLESRYGVSI
PDDVAGRVDTPRELLDLING
ALAEAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 362 |
| 15N chemical shifts | 92 |
| 1H chemical shifts | 605 |
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