BMRBj - BMREntryMaster

Found 1 Document (7.091 seconds)

BMRB: 30007

5HVC

Solution structure of the apo state of the acyl carrier protein from the MLSA2 subunit of the mycolactone polyketide synthase

Authors

Vance, S., Tkachenko, O., Thomas, B., Bassuni, M., Hong, H., Nietlispach, D., Broadhurst, R.W.

Assembly

Type I modular polyketide synthase

Entity

1. Type I modular polyketide synthase (polymer, Thiol state: not present), 95 monomers, 10224.37 Da Detail

GSHMRLNGLS PQQQQQTLAT LVAAATATVL GHHTPESISP ATAFKDLGID SLTALELRNT LTHNTGLDLP PTLIFDHPTP HALTQHLHTR LTQSH

Formula weight

10224.37 Da

Source organism

Mycobacterium ulcerans

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 85.8 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.8 % (903 of 1052)	84.3 % (452 of 536)	85.6 % (358 of 418)	94.9 % (93 of 98)
Backbone	92.4 % (514 of 556)	94.1 % (177 of 188)	90.7 % (254 of 280)	94.3 % (83 of 88)
Sidechain	81.1 % (475 of 586)	79.0 % (275 of 348)	83.3 % (190 of 228)	100.0 % (10 of 10)
Aromatic	64.3 % (36 of 56)	71.4 % (20 of 28)	57.1 % (16 of 28)
Methyl	81.1 % (107 of 132)	87.9 % (58 of 66)	74.2 % (49 of 66)

1. entity 1

GSHMRLNGLS PQQQQQTLAT LVAAATATVL GHHTPESISP ATAFKDLGID SLTALELRNT LTHNTGLDLP PTLIFDHPTP HALTQHLHTR LTQSH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 (±0.1) K, pH 7.5 (±.05), Details 150 mM sodium phosphate, 0.1 mM 333-trimethylsilylpropionate, sodium salt, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	0.1013291

Referencing offset: 0.28 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	0.1013291

Referencing offset: 0.28 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	0.1013291

Referencing offset: 2.41 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5HVC, Strand ID: A Detail

Release date

2016-03-13

Citation

Sticky swinging arm dynamics: studies of an acyl carrier protein domain from the mycolactone polyketide synthase
Vance, S., Tkachenko, O., Thomas, B., Bassuni, M., Hong, H., Nietlispach, D., Broadhurst, R.W.
Biochem. J. (2016), 473, 1097-1110, PubMed 26920023 , DOI 10.1042/BCJ20160041 , Abstract

Related entities 1. Type I modular polyketide synthase, : 1 : 1 : 1 : 75 entities Detail

Experiments performed 9 experiments Detail

1 2D [1H,15N]-HSQC

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 (±0.1) K, pH 7.5 (±.05), Details 150 mM sodium phosphate, 0.1 mM 333-trimethylsilylpropionate, sodium salt, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

2 3D 15N-TOCSY-HSQC

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

3 3D 15N-NOESY-HSQC

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

4 3D HNCA

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

5 3D HNCACB

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

6 3D HCCH-TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

7 3D CBCA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

8 3D HN(CO)CA

Instrument

Bruker DRX - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

9 3D 13C-NOESY-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	entity_1		0.0 ~ 0.0 mM
2	333-trimethylsilylpropionate, sodium salt	natural abundance	0.1 (±0.05) mM
3	sodium phosphate	natural abundance	150 (±25.0) mM

nullKeywords Transferase, acyl carrier protein mycolactone

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (7.091 seconds)

BMRB: 30007

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Type I modular polyketide synthase, : 1 : 1 : 1 : 75 entities Detail

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample