BMRB: 34299

A1-type ACP domain from module 5 of MLSA1

Authors

Moretto, L., Heylen, R., Holroyd, N., Vance, S., Broadhurst, R.W.

Assembly

Type I modular polyketide synthase

Entity

1. Type I modular polyketide synthase (polymer, Thiol state: not present), 100 monomers, 10596.75 Da Detail

GSTATLLTSK LAGLTATEQR AVTRKLVLDQ AASVLGYAST ESLDTHESFK DLGFDSLTAL ELRDHLQTAT GLNLSSTLIF DHPTPHAVAE HLLEQIPGIG

Formula weight

10596.75 Da

Source organism

Mycobacterium ulcerans Agy99

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 95.5 %, Completeness (bb): 97.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	95.5 % (1040 of 1089)	94.2 % (518 of 550)	96.8 % (423 of 437)	97.1 % (99 of 102)
Backbone	97.1 % (577 of 594)	97.5 % (199 of 204)	96.9 % (284 of 293)	96.9 % (94 of 97)
Sidechain	94.4 % (555 of 588)	92.2 % (319 of 346)	97.5 % (231 of 237)	100.0 % (5 of 5)
Aromatic	100.0 % (58 of 58)	100.0 % (29 of 29)	100.0 % (29 of 29)
Methyl	98.6 % (146 of 148)	98.6 % (73 of 74)	98.6 % (73 of 74)

1. Type I modular polyketide synthase

GSTATLLTSK LAGLTATEQR AVTRKLVLDQ AASVLGYAST ESLDTHESFK DLGFDSLTAL ELRDHLQTAT GLNLSSTLIF DHPTPHAVAE HLLEQIPGIG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 0.8 mM [U-13C; U-15N] mH0ACPa, 150 mM sodium chloride, 45 mM sodium phosphate, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	mH0ACPa	[U-13C; U-15N]		0.8 (±0.05) mM
2	sodium chloride	natural abundance		150 (±10.0) mM
3	sodium phosphate	natural abundance		45 (±10.0) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 0.8 mM [U-15N] mH0ACPa, 150 mM sodium chloride, 45 mM sodium phosphate, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	mH0ACPa	[U-15N]		0.8 (±0.05) mM
5	sodium chloride	natural abundance		150 (±10.0) mM
6	sodium phosphate	natural abundance		45 (±10.0) mM

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LACS Plot; CA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl carbons	0.0 ppm	internal	direct	1.0
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	TSP	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.06 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl carbons	0.0 ppm	internal	direct	1.0
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	TSP	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 4 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl carbons	0.0 ppm	internal	direct	1.0
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	TSP	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.3 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl carbons	0.0 ppm	internal	direct	1.0
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	TSP	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 6H0J, Strand ID: A Detail

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Release date

2019-03-12

Citation

Modular type I polyketide synthase acyl carrier protein domains share a common N-terminally extended fold
Moretto, L., Heylen, R., Holroyd, N., Vance, S., Broadhurst, R.W.
Sci. Rep. (2019), 9, 2325-2325, PubMed 30787330 , DOI 10.1038/s41598-019-38747-9 , Abstract

Related entities 1. Type I modular polyketide synthase, : 1 : 77 entities Detail

Experiments performed 7 experiments Detail