BMRB Entry 16200

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PDB ID: 2kga
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16200
MolProbity Validation Chart

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Title:
NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
Deposition date:
2009-03-07
Original release date:
2009-04-17
Authors:
Crump, Matthew; Evans, Simon; Williams, Christopher
Citation:

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).
PubMed: 19361520

Assembly members:

Assembly members:
hexanoyl ACP, polymer, 86 residues, 9133.160 Da.
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate, non-polymer, 456.491 Da.

Natural source:

Natural source:   Common Name: Streptomyces coelicolor   Taxonomy ID: 1902   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces coelicolor

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: peT11c

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hexanoyl ACP: MATLLTTDDLRRALVESAGE TDGTDLSGDFLDLRFEDIGY DSLALMETAARLESRYGVSI PDDVAGRVDTPRELLDLING ALAEAA

Data sets:
Data typeCount
13C chemical shifts355
15N chemical shifts91
1H chemical shifts597

Additional metadata:

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  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1hexanoyl ACP1
2SXH2

Entities:

Entity 1, hexanoyl ACP 86 residues - 9133.160 Da.

1   METALATHRLEULEUTHRTHRASPASPLEU
2   ARGARGALALEUVALGLUSERALAGLYGLU
3   THRASPGLYTHRASPLEUSERGLYASPPHE
4   LEUASPLEUARGPHEGLUASPILEGLYTYR
5   ASPSERLEUALALEUMETGLUTHRALAALA
6   ARGLEUGLUSERARGTYRGLYVALSERILE
7   PROASPASPVALALAGLYARGVALASPTHR
8   PROARGGLULEULEUASPLEUILEASNGLY
9   ALALEUALAGLUALAALA

Entity 2, SXH - C17 H33 N2 O8 P S - 456.491 Da.

1   SXH

Related Database Links:

BMRB 15658 15659 16196 16197 16199 16201 16202 16203 25284 25287
PDB 1AF8 2AF8 2K0X 2K0Y 2KG6 2KG8 2KG9 2KGA 2KGC 2KGD 2KGE 2MVU 2MVV
EMBL CAA45045 CAC44202
GB AIJ13577 EFD66960 EOY50075 KKD13304
REF NP_629239 WP_003973889
SP Q02054
AlphaFold Q02054

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