BMRBj - BMREntryMaster

Found 1 Document (1.006 seconds)

BMRB: 16734

2KUF

NMR structure of the PASTA domain 3 and 4 of Mycobacterium tuberculosis of PknB

Authors

Barthe, P., Cohen-Gonsaud, M., Roumestand, C., Mukamolova, G.

Assembly

PknB PASTA34

Entity

1. PknB PASTA34 (polymer, Thiol state: not present), 139 monomers, 14635.20 Da Detail

GHMGPATKDI PDVAGQTVDV AQKNLNVYGF TKFSQASVDS PRPAGEVTGT NPPAGTTVPV DSVIELQVSK GNQFVMPDLS GMFWVDAEPR LRALGWTGML DKGADVDAGG SQHNRVVYQN PPAGTGVNRD GIITLRFGQ

Formula weight

14635.2 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Refine. method

restrained molecular dynamics in a hydrated environment

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 83.2 %, Completeness (bb): 95.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.2 % (1261 of 1516)	93.5 % (731 of 782)	65.9 % (388 of 589)	97.9 % (142 of 145)
Backbone	95.9 % (779 of 812)	96.1 % (274 of 285)	95.2 % (380 of 399)	97.7 % (125 of 128)
Sidechain	72.6 % (599 of 825)	92.0 % (457 of 497)	40.2 % (125 of 311)	100.0 % (17 of 17)
Aromatic	48.0 % (47 of 98)	91.8 % (45 of 49)	0.0 % (0 of 47)	100.0 % (2 of 2)
Methyl	59.3 % (89 of 150)	100.0 % (75 of 75)	18.7 % (14 of 75)

1. PknB PASTA34

GHMGPATKDI PDVAGQTVDV AQKNLNVYGF TKFSQASVDS PRPAGEVTGT NPPAGTTVPV DSVIELQVSK GNQFVMPDLS GMFWVDAEPR LRALGWTGML DKGADVDAGG SQHNRVVYQN PPAGTGVNRD GIITLRFGQ

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±0.1) K, pH 4.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	PknB_PASTA34	[U-100% 15N]	0.6 (±0.1) mM
2	sodium acetate	natural abundance	20 (±0.1) mM
3	H2O	natural abundance	5.0 (±0.1) %
4	D2O	natural abundance	95 (±0.1) %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 283 (±0.1) K, pH 4.6 (±0.1)

#	Name	Isotope labeling	Concentration
5	PknB_PASTA34	[U-100% 13C; U-100% 15N]	0.6 (±0.1) mM
6	sodium acetate	natural abundance	20 (±0.1) mM
7	H2O	natural abundance	95 (±0.1) %
8	D2O	natural abundance	5 (±0.1) %

LACS Plot; CA

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

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.01 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2KUF, Strand ID: A Detail

Release date

2010-05-17

Citation

The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation
Barthe, P., Mukamolova, G.V., Roumestand, C., Cohen-Gonsaud, M.
Structure (2010), 18, 606-615, PubMed 20462494 , DOI 10.1016/j.str.2010.02.013 , Abstract

Entries sharing articles BMRB: 2, Swiss-Prot: 1 entries Detail

  BMRB: 16733 released on 2010-05-17
    Title NMR structure of the PASTA domain 2 and 3 of Mycobacterium tuberculosis of PknB
  BMRB: 16732 released on 2010-02-16
    Title NMR structure of the PASTA domain 1 and 2 of Mycobacterium tuberculosis of PknB
  Swiss-Prot: P9WI81 released on 2014-04-16
    Title PKNB_MYCTU Entity Serine/threonine-protein kinase PknB

Related entities 1. PknB PASTA34, : 1 : 5 : 26 entities Detail

Experiments performed 7 experiments Detail

1 3D 1H-15N NOESY