BMRB Entry 16197

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PDB ID: 2kg8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16197
MolProbity Validation Chart

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Title:
NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor
Deposition date:
2009-03-06
Original release date:
2009-04-17
Authors:
Crump, Matthew; Evans, Simon; Williams, Christopher; Eliza, Ploskon
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:
malonyl ACP, polymer, 86 residues, 9133.160 Da.
3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, non-polymer, 444.394 Da.

Natural source:

Natural source:   Common Name: Streptomyces coelicolor   Taxonomy ID: 100226   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):
malonyl ACP: MATLLTTDDLRRALVESAGE TDGTDLSGDFLDLRFEDIGY DSLALMETAARLESRYGVSI PDDVAGRVDTPRELLDLING ALAEAA

Data sets:
Data typeCount
13C chemical shifts362
15N chemical shifts92
1H chemical shifts598

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1malonyl ACP1
2SXM2

Entities:

Entity 1, malonyl 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, SXM - C14 H25 N2 O10 P S - 444.394 Da.

1   SXM

Related Database Links:

BMRB 15658 15659 16196 16199 16200 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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