BMRB: 34301

B1-type ACP domain from module 7 of MLSB

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), 102 monomers, 10711.85 Da Detail

GAASAATDLA ARLNGLSPQQ QQQTLATLVA AATATVLGHH TPESISPATA FKDLGIDSLT ALELRNTLTH NTGLDLPPTL IFDHPTPHAL TQHLHTRLTQ SH

Formula weight

10711.85 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: 100.0 %, Completeness: 89.0 %, Completeness (bb): 95.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.0 % (979 of 1100)	86.5 % (481 of 556)	92.0 % (404 of 439)	89.5 % (94 of 105)
Backbone	95.2 % (569 of 598)	94.6 % (191 of 202)	95.3 % (287 of 301)	95.8 % (91 of 95)
Sidechain	84.5 % (506 of 599)	81.9 % (290 of 354)	90.6 % (213 of 235)	30.0 % (3 of 10)
Aromatic	69.2 % (36 of 52)	69.2 % (18 of 26)	69.2 % (18 of 26)
Methyl	89.3 % (134 of 150)	88.0 % (66 of 75)	90.7 % (68 of 75)

1. Type I modular polyketide synthase

GAASAATDLA ARLNGLSPQQ QQQTLATLVA AATATVLGHH TPESISPATA FKDLGIDSLT ALELRNTLTH NTGLDLPPTL IFDHPTPHAL TQHLHTRLTQ SH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 (±.01) atm, Temperature 283 (±.5) K, pH 7.5 (±.05), Details 150 mM NA sodium choride, 50 mM NA sodium phosphate, 0.8 mM [U-15N] 15N_mH0ACPb, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	sodium choride	NA		150 (±10.0) mM
2	sodium phosphate	NA		50 (±5.0) mM
3	15N_mH0ACPb	[U-15N]		0.8 (±0.05) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 (±.01) atm, Temperature 283 (±.5) K, pH 7.5 (±.05), Details 0.8 mM [U-13C; U-15N] 13C15N_mH0ACPb, 150 mM NA sodium chloride, 50 mM NA sodium phosphate, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	sodium phosphate	NA		50 (±5.0) mM
5	13C15N_mH0ACPb	[U-13C; U-15N]		0.8 (±0.05) mM
6	sodium chloride	NA		150 (±10.0) mM

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LACS Plot; CA

Referencing offset: 0.15 ppm, Outliers: 2 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	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.15 ppm, Outliers: 2 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	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.09 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	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.15 ppm, Outliers: 4 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	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 16 models in PDB: 6H0Q, 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 : 2 : 54 entities Detail

Experiments performed 11 experiments Detail