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BMRB: 36048

5X1X

Solution NMR Structure of DNA Mismatch Repair Protein MutT (Family Nudix Hydrolase) from Methicillin Resistant Staphylococcus aureus 252

Authors

Wahab, A., Durreshahwar, S., Schwalbe, H., Richter, C., Choudhary, M.I.

Assembly

Mutator mutT protein (E.C.3.6.1.55)

Entity

1. Mutator mutT protein (E.C.3.6.1.55) (polymer), 130 monomers, 14894.17 Da Detail

MKKVINVVGA IIFSDNKILC AQRSEKMSLP LMWEFPGGKV EKNETEKDAL IREIREEMKC DLIVGDKVIT TEHEYDFGIV RLTTYKCTLN KELPTLTEHK SIEWLSINEL DKLNWAPADI PAVNKIMTEG

Formula weight

14894.17 Da

Source organism

Staphylococcus aureus subsp. aureus MN8

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.6 %, Completeness (bb): 98.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.6 % (1529 of 1566)	98.0 % (802 of 818)	96.9 % (593 of 612)	98.5 % (134 of 136)
Backbone	98.7 % (760 of 770)	98.5 % (257 of 261)	99.0 % (380 of 384)	98.4 % (123 of 125)
Sidechain	97.1 % (893 of 920)	97.8 % (545 of 557)	95.7 % (337 of 352)	100.0 % (11 of 11)
Aromatic	86.7 % (78 of 90)	95.6 % (43 of 45)	76.2 % (32 of 42)	100.0 % (3 of 3)
Methyl	96.9 % (157 of 162)	100.0 % (81 of 81)	93.8 % (76 of 81)

1. entity 1

MKKVINVVGA IIFSDNKILC AQRSEKMSLP LMWEFPGGKV EKNETEKDAL IREIREEMKC DLIVGDKVIT TEHEYDFGIV RLTTYKCTLN KELPTLTEHK SIEWLSINEL DKLNWAPADI PAVNKIMTEG

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9, Details 1 mM [U-99% 13C; U-99% 15N] DNA Mismatch Repair Protein MutT from Nudix Hydrolase Family, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA Mismatch Repair Protein MutT from Nudix Hydrolase Family	[U-99% 13C; U-99% 15N]	protein	1 (±0.1) mM
2	sodium phosphate	natural abundance	buffer	25 mM
3	NaCl	natural abundance	salt	100 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	[U-2H]	solvent	5 %

LACS Plot; CA

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 4 Detail

LACS Plot; CO

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

Referencing offset: 0.39 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5X1X, Strand ID: A Detail

Release date

2017-03-08

Citation

Solution NMR Structure of DNA Mismatch Repair Protein MutT (Family Nudix Hydrolase) from Methicillin Resistant Staphylococcus aureus 252
Wahab, A.