BMRB Entry 30006

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PDB ID: 5hv8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30006
MolProbity Validation Chart

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Title:
Solution structure of an octanoyl- loaded acyl carrier protein domain from module MLSA2 of the mycolactone polyketide synthase
Deposition date:
2016-01-28
Original release date:
2016-03-14
Authors:
Vance, S.; Tkachenko, O.; Thomas, B.; Bassuni, M.; Hong, H.; Nietlispach, D.; Broadhurst, R.
Citation:

Citation: Vance, S.; Tkachenko, O.; Thomas, B.; Bassuni, M.; Hong, H.; Nietlispach, D.; Broadhurst, R.. "Sticky swinging arm dynamics: studies of an acyl carrier protein domain from the mycolactone polyketide synthase"  Biochem. J. 473, 1097-1110 (2016).
PubMed: 26920023

Assembly members:

Assembly members:
Type I modular polyketide synthase, polymer, 95 residues, 10237.473 Da.
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate, non-polymer, 484.544 Da.

Natural source:

Natural source:   Common Name: high GC Gram+   Taxonomy ID: 1809   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium ulcerans

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Type I modular polyketide synthase: GSHMRLNGLSPQQQQQTLAT LVAAATATVLGHHTPESISP ATAFKDLGIDSLTALELRNT LTHNTGLDLPPTLIFDHPTP HALTQHLHTRLTQSH

Data sets:
Data typeCount
13C chemical shifts315
15N chemical shifts92
1H chemical shifts675

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
266S2

Entities:

Entity 1, entity_1 95 residues - 10237.473 Da.

1   GLYSERHISMETARGLEUASNGLYLEUSER
2   PROGLNGLNGLNGLNGLNTHRLEUALATHR
3   LEUVALALAALAALATHRALATHRVALLEU
4   GLYHISHISTHRPROGLUSERILESERPRO
5   ALATHRALAPHELYSASPLEUGLYILEASP
6   SERLEUTHRALALEUGLULEUARGASNTHR
7   LEUTHRHISASNTHRGLYLEUASPLEUPRO
8   PROTHRLEUILEPHEASPHISPROTHRPRO
9   HISALALEUTHRGLNHISLEUHISTHRARG
10   LEUTHRGLNSERHIS

Entity 2, 66S - C19 H37 N2 O8 P S - 484.544 Da.

1   66S

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