BMRB Entry 52726

Name: Backbone NMR assignment of the polyketide synthase acyl carrier protein from Gloeocapsa sp. PCC 7428
Published: 2025-11-19

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52726

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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:

Backbone NMR assignment of the polyketide synthase acyl carrier protein from Gloeocapsa sp. PCC 7428

Deposition date:

2024-11-27

Original release date:

2025-11-19

Authors:

Tran, Mai; Wiedemann, Christoph; Hellmich, Ute

Citation:

Citation: Li, Kevin; Cho, Yae In; Tran, Mai Anh; Wiedemann, Christoph; Zhang, Shuaibing; Koweek, Rebecca; Hoang, Ngoc Khanh; Hamrick, Grayson; Bowen, Margaret; Kokona, Bashkim; Stallforth, Pierre; Beld, Joris; Hellmich, Ute; Charkoudian, Louise. "Strategic Acyl Carrier Protein Engineering Enables Functional Type II Polyketide Synthase Reconstitution In Vitro" ACS Chem. Biol. 20, 197-207 (2025).
PubMed: 39745931

Assembly members:

Assembly members:
entity_1, polymer, 100 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Gloeocapsa sp. PCC 7428 Taxonomy ID: 1173026 Superkingdom: Bacteria Kingdom: not available Genus/species: Gloeocapsa Gloeocapsa sp. PCC 7428

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MVMDALKDILVDLGIPEQEI TETALLRKDLQLDSTETVDI SLGLKRRFGVNVKLESRKDM TLKDVCEMVNSAIAATATAT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	323
15N chemical shifts	74
1H chemical shifts	475

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	gloACP	1

Entities:

Entity 1, gloACP 100 residues - Formula weight is not available

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

Samples:

sample_1: gloACP, [U-99% 13C; U-99% 15N], 350 uM; D2O, [U-99% 2H], 10%; DSS 0.1 mM; sodium phosphate 50 mM; sodium chloride 100 mM; glycerol, [U-99% 2H], 5 v/v

sample_conditions_1: ionic strength: 0.15 M; pH: 7.6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
(H)C(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection, processing

CcpNMR - chemical shift assignment

CS-Rosetta - structure solution

CARA - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 600 MHz

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

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

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

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