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BMRB: 6688

2HHI

NMR chemical shift entry for protein Rv1980c (MPT64) from M. tuberculosis

Authors

Danahy, J.M., Potter, B.M., Geisbrecht, B.V., Laity, J.H.

Assembly

Rv1980c (monomer)

Entity

1. Rv1980c (monomer) (polymer, Thiol state: all disulfide bound), 206 monomers, 22563.97 Da Detail

MAPKTYCEEL KGTDTGQACQ IQMSDPAYNI NISLPSYYPD QKSLENYIAQ TRDKFLSAAT SSTPREAPYE LNITSATYQS AIPPRGTQAV VLKVYQNAGG THPTTTYKAF DWDQAYRKPI TYDTLWQADT DPLPVVFPIV QGELSKQTGQ QVSIAPNAGL DPVNYQNFAV TNDGVIFFFN PGELLPEAAG PTQVLVPRSA IDSMLA

Formula weight

22563.97 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS19:SG

Source organism

Mycobacterium tuberculosis H37Rv

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 87.6 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.6 % (2060 of 2352)	83.9 % (1019 of 1215)	91.3 % (842 of 922)	92.6 % (199 of 215)
Backbone	96.9 % (1161 of 1198)	95.8 % (387 of 404)	97.7 % (593 of 607)	96.8 % (181 of 187)
Sidechain	80.8 % (1090 of 1349)	77.9 % (632 of 811)	86.3 % (440 of 510)	64.3 % (18 of 28)
Aromatic	55.7 % (108 of 194)	54.6 % (53 of 97)	57.9 % (55 of 95)	0.0 % (0 of 2)
Methyl	95.2 % (217 of 228)	94.7 % (108 of 114)	95.6 % (109 of 114)

1. Rv1980c (MPT64) polypeptide

Show sample condition

Sample

Temperature 303 (±0.1) K, pH 6.85 (±0.03), Details MES, D2O, NaN3, DSS

#	Name	Isotope labeling	Type	Concentration
1	Rv1980c (MPT64) polypeptide	[U-15N; U-13C]	protein	2.0 (±0.05) mM
2	MES		buffer	20 mM
3	D2O			5 %
4	NaN3			1 mM
5	DSS		internal reference	0.2 mM

LACS Plot; CA

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

Referencing offset: 0.14 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: 0.14 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: -0.07 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.29 ppm, Outliers: 1 Detail

Release date

2015-09-01

Citation 1

NMR assignment of protein Rv1980c from Mycobacterium tuberculosis
Laity, J.H., Danahy, J.M., Potter, B.M., Geisbrecht, B.V.
J. Biomol. NMR (2005), 33, 73-73, PubMed 16222561 , DOI 10.1007/s10858-005-1202-9 , Abstract

Show more 2 citaions

Citation 2

NMRView: A computer program for the visualization and analysis of NMR Data
Johnson, B.A., Blevins, R.A.
J. Biomol. NMR (1994), 6, 603-614

Citation 3

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Vuister, G.W., Zhu, G., Pfeifer, J., Delaglio, F., Grzesiek, S., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , Abstract

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Related entities 1. Rv1980c (monomer), : 1 : 2 : 1 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N_HSQC