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BMRB: 16971

2L8B

backbone and sidechain 1H, 13C, and 15N assignments for F-plasmid TraI 381-569

Authors

Wright, N.T., Majumdar, A., Schildbach, J.F.

Assembly

TraI 381-569

Entity

1. TraI 381-569 (polymer, Thiol state: not present), 189 monomers, 20466.98 Da Detail

TSGIHVLDEL SVRALSRDIM KQNRVTVHPE KSVPRTAGYS DAVSVLAQDR PSLAIVSGQG GAAGQRERVA ELVMMAREQG REVQIIAADR RSQMNMKQDE RLSGELITGR RQLLEGMAFT PGSTVIVDQG EKLSLKETLT LLDGAARHNV QVLITDSGQR TGTGSALMAM KDAGVNTYRW QGGEQRPAT

Formula weight

20466.98 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 88.1 %, Completeness (bb): 94.1 % Detail

Polymer type: polypeptide(D)

	Total	¹H	¹³C	¹⁵N
All	88.1 % (1840 of 2089)	89.1 % (969 of 1088)	85.7 % (684 of 798)	92.1 % (187 of 203)
Backbone	94.1 % (1058 of 1124)	95.4 % (374 of 392)	94.0 % (515 of 548)	91.8 % (169 of 184)
Sidechain	83.3 % (945 of 1135)	85.5 % (595 of 696)	79.0 % (332 of 420)	94.7 % (18 of 19)
Aromatic	14.0 % (7 of 50)	16.0 % (4 of 25)	8.3 % (2 of 24)	100.0 % (1 of 1)
Methyl	89.8 % (203 of 226)	95.6 % (108 of 113)	84.1 % (95 of 113)

1. TraI (381-569)

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	TraI (381-569)	[U-100% 13C; U-100% 15N]	300.0 ~ 600.0 uM
2	D2O	natural abundance	10 %
3	H2O	natural abundance	90 %
4	TRIS	natural abundance	20 mM
5	sodium chloride	natural abundance	25 mM
6	EDTA	natural abundance	1 mM

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: 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: -0.18 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: 0.0 ppm, Outliers: 4 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: 0.08 ppm, Outliers: 6 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L8B, Strand ID: A Detail

Release date

2010-06-01

Citation

Chemical shift assignments for F-plasmid TraI (381-569)
Wright, N.T., Majumdar, A., Schildbach, J.F.
Biomol. NMR Assign. (2011), 5, 67-70, PubMed 20936510 , DOI 10.1007/s12104-010-9269-y , Abstract

Related entities 1. TraI 381-569, : 1 : 1 : 1 : 3 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC