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BMRB: 17734

2LEZ

Solution NMR structure of N-terminal domain of Salmonella effector protein PipB2. Northeast structural genomics consortium (NESG) target stt318a

Authors

Lemak, A., Yee, A., Houliston, S., Garcia, M., Daniels, C., Savchenko, A., Arrowsmith, C.

Assembly

PipB2

Entity

1. PipB2 (polymer, Thiol state: all free), 145 monomers, 15894.97 Da Detail

GAGTSAAMRQ ATSPKTILEY IINFFTCGGI RRRNETQYQE LIETMAETLK STMPDRGAPL PENIILDDMD GCRVEFNLPG ENNEAGQVIV RVSKGDHSET REIPLASFEK ICRALLFRCE FSLPQDSVIL TAQGGMNLKG AVLTG

Formula weight

15894.97 Da

Source organism

Salmonella enterica subsp. enterica serovar Typhimurium str. LT2

Exptl. method

solution NMR

Refine. method

restrained molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 91.3 %, Completeness (bb): 92.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.3 % (1497 of 1640)	91.2 % (779 of 854)	91.3 % (580 of 635)	91.4 % (138 of 151)
Backbone	92.1 % (788 of 856)	92.6 % (274 of 296)	91.7 % (387 of 422)	92.0 % (127 of 138)
Sidechain	91.3 % (836 of 916)	90.5 % (505 of 558)	92.8 % (320 of 345)	84.6 % (11 of 13)
Aromatic	93.8 % (75 of 80)	95.0 % (38 of 40)	92.5 % (37 of 40)
Methyl	97.6 % (160 of 164)	97.6 % (80 of 82)	97.6 % (80 of 82)

1. PipB2

GAGTSAAMRQ ATSPKTILEY IINFFTCGGI RRRNETQYQE LIETMAETLK STMPDRGAPL PENIILDDMD GCRVEFNLPG ENNEAGQVIV RVSKGDHSET REIPLASFEK ICRALLFRCE FSLPQDSVIL TAQGGMNLKG AVLTG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	PipB2	[U-13C; U-15N]	0.5 mM
2	TRIS	natural abundance	10 mM
3	sodium chloride	natural abundance	300 mM
4	ZnSO4	natural abundance	10 uM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.01 %
7	benzamidine	natural abundance	10 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

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: -0.18 ppm, Outliers: 2 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: -0.18 ppm, Outliers: 2 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: 0.0 ppm, Outliers: 1 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: 0.23 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LEZ, Strand ID: A Detail

Release date

2011-07-17

Citation

NMR solution structure of N-terminal domain of Salmonella effector protein PipB2
Lemak, A., Yee, A., Houliston, S., Garcia, M., Daniels, C., Savchenko, A., Arrowsmith, C.
Not known

Related entities 1. PipB2, : 1 : 1 : 2 : 2 entities Detail

Interaction partners 1. PipB2, : 3 interactors Detail

More details for 3 interactors identified by 1 citations

Experiments performed 9 experiments Detail

1 3D HNCO