BMRB Entry 34299

Name: A1-type ACP domain from module 5 of MLSA1
Published: 2019-03-14

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PDB ID: 6h0j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34299
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

A1-type ACP domain from module 5 of MLSA1

Deposition date:

2018-07-09

Original release date:

2019-03-14

Authors:

Moretto, Luisa; Heylen, Rachel; Holroyd, Natalie; Vance, Steven; Broadhurst, Richard

Citation:

Citation: Moretto, Luisa; Heylen, Rachel; Holroyd, Natalie; Vance, Steven; Broadhurst, Richard. "Modular type I polyketide synthase acyl carrier protein domains share a common N-terminally extended fold." Sci. Rep. 9, 2325-2325 (2019).
PubMed: 30787330

Assembly members:

Assembly members:
Type I modular polyketide synthase, polymer, 100 residues, 10607.839 Da.

Natural source:

Natural source: Common Name: Mycobacterium ulcerans Agy99 Taxonomy ID: 362242 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium 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: GSTATLLTSKLAGLTATEQR AVTRKLVLDQAASVLGYAST ESLDTHESFKDLGFDSLTAL ELRDHLQTATGLNLSSTLIF DHPTPHAVAEHLLEQIPGIG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	424
15N chemical shifts	101
1H chemical shifts	657

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 100 residues - 10607.839 Da.

1	GLY	SER	THR	ALA	THR	LEU	LEU	THR	SER	LYS
2	LEU	ALA	GLY	LEU	THR	ALA	THR	GLU	GLN	ARG
3	ALA	VAL	THR	ARG	LYS	LEU	VAL	LEU	ASP	GLN
4	ALA	ALA	SER	VAL	LEU	GLY	TYR	ALA	SER	THR
5	GLU	SER	LEU	ASP	THR	HIS	GLU	SER	PHE	LYS
6	ASP	LEU	GLY	PHE	ASP	SER	LEU	THR	ALA	LEU
7	GLU	LEU	ARG	ASP	HIS	LEU	GLN	THR	ALA	THR
8	GLY	LEU	ASN	LEU	SER	SER	THR	LEU	ILE	PHE
9	ASP	HIS	PRO	THR	PRO	HIS	ALA	VAL	ALA	GLU
10	HIS	LEU	LEU	GLU	GLN	ILE	PRO	GLY	ILE	GLY

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_2
3D HN(CO)CA	sample_1	isotropic	sample_conditions_2
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_2
3D HNCACB	sample_1	isotropic	sample_conditions_2
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_2

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 34299

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	SER	THR	ALA	THR	LEU	LEU	THR	SER	LYS
2	LEU	ALA	GLY	LEU	THR	ALA	THR	GLU	GLN	ARG
3	ALA	VAL	THR	ARG	LYS	LEU	VAL	LEU	ASP	GLN
4	ALA	ALA	SER	VAL	LEU	GLY	TYR	ALA	SER	THR
5	GLU	SER	LEU	ASP	THR	HIS	GLU	SER	PHE	LYS
6	ASP	LEU	GLY	PHE	ASP	SER	LEU	THR	ALA	LEU
7	GLU	LEU	ARG	ASP	HIS	LEU	GLN	THR	ALA	THR
8	GLY	LEU	ASN	LEU	SER	SER	THR	LEU	ILE	PHE
9	ASP	HIS	PRO	THR	PRO	HIS	ALA	VAL	ALA	GLU
10	HIS	LEU	LEU	GLU	GLN	ILE	PRO	GLY	ILE	GLY

1	GLY	SER	THR	ALA	THR	LEU	LEU	THR	SER	LYS
2	LEU	ALA	GLY	LEU	THR	ALA	THR	GLU	GLN	ARG
3	ALA	VAL	THR	ARG	LYS	LEU	VAL	LEU	ASP	GLN
4	ALA	ALA	SER	VAL	LEU	GLY	TYR	ALA	SER	THR
5	GLU	SER	LEU	ASP	THR	HIS	GLU	SER	PHE	LYS
6	ASP	LEU	GLY	PHE	ASP	SER	LEU	THR	ALA	LEU
7	GLU	LEU	ARG	ASP	HIS	LEU	GLN	THR	ALA	THR
8	GLY	LEU	ASN	LEU	SER	SER	THR	LEU	ILE	PHE
9	ASP	HIS	PRO	THR	PRO	HIS	ALA	VAL	ALA	GLU
10	HIS	LEU	LEU	GLU	GLN	ILE	PRO	GLY	ILE	GLY

1	GLY	SER	THR	ALA	THR	LEU	LEU	THR	SER	LYS
2	LEU	ALA	GLY	LEU	THR	ALA	THR	GLU	GLN	ARG
3	ALA	VAL	THR	ARG	LYS	LEU	VAL	LEU	ASP	GLN
4	ALA	ALA	SER	VAL	LEU	GLY	TYR	ALA	SER	THR
5	GLU	SER	LEU	ASP	THR	HIS	GLU	SER	PHE	LYS
6	ASP	LEU	GLY	PHE	ASP	SER	LEU	THR	ALA	LEU
7	GLU	LEU	ARG	ASP	HIS	LEU	GLN	THR	ALA	THR
8	GLY	LEU	ASN	LEU	SER	SER	THR	LEU	ILE	PHE
9	ASP	HIS	PRO	THR	PRO	HIS	ALA	VAL	ALA	GLU
10	HIS	LEU	LEU	GLU	GLN	ILE	PRO	GLY	ILE	GLY