BMRB: 18379

Solution Structures of the IIA(Chitobiose)-HPr complex of the N,N'-Diacetylchitobiose Branch of the Escherichia coli Phosphotransferase System

Authors

Jung, Y., Cai, M., Clore, M.

Assembly

IIA(chb)-HPr complex

Entity

1. IIA(chb)-HPr complex, entity 1 (polymer), 103 monomers, 11241.06 × 3 Da Detail

AEELEEVVMG LIINSGQARS LAYAALKQAK QGDFAAAKAM MDQSRMALNE AHLVQTKLIE GDAGEGKMKV SLVLVHAQLH LMTSMLAREL ITELIELHEK LKA

2. IIA(chb)-HPr complex, entity 2 (polymer), 85 monomers, 9119.249 Da Detail

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE

3. IIA(chb)-HPr complex, entity PHO (non-polymer), 871.200 Da
4. IIA(chb)-HPr complex, entity ANI (non-polymer), 161.124 Da

Total weight

43874.754 Da

Max. entity weight

11241.06 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 83.7 %, Completeness (bb): 90.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	83.7 % (1791 of 2141)	81.5 % (900 of 1104)	84.8 % (708 of 835)	90.6 % (183 of 202)
Backbone	90.2 % (1014 of 1124)	94.0 % (363 of 386)	85.1 % (470 of 552)	97.3 % (181 of 186)
Sidechain	78.7 % (939 of 1193)	74.1 % (532 of 718)	88.5 % (406 of 459)	6.3 % (1 of 16)
Aromatic	51.2 % (42 of 82)	43.9 % (18 of 41)	58.5 % (24 of 41)
Methyl	80.1 % (205 of 256)	68.0 % (87 of 128)	92.2 % (118 of 128)

1. entity 1

AEELEEVVMG LIINSGQARS LAYAALKQAK QGDFAAAKAM MDQSRMALNE AHLVQTKLIE GDAGEGKMKV SLVLVHAQLH LMTSMLAREL ITELIELHEK LKA

2. entity 2

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	IIAChb	[U-99% 13C; U-99% 15N]		1.0 mM
2	HPR	[U-99% 13C; U-99% 15N]		1.0 mM
3	PHEOPHYTIN A	natural abundance		1.0 mM
4	4-TRIFLUOROMETHYLANILINE	natural abundance		1.0 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

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LACS Plot; CA

Referencing offset: -0.01 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.251
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl carbons	0.0 ppm	external	indirect	0.101

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LACS Plot; CB

Referencing offset: -0.01 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.251
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl carbons	0.0 ppm	external	indirect	0.101

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LACS Plot; HA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.251
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl carbons	0.0 ppm	external	indirect	0.101

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Protein Blocks Logo

Calculated from 21 models in PDB: 2LRK, Strand ID: A, B, C, D Detail

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Release date

2012-06-13

Citation

Solution structure of the IIAChitobiose-HPr complex of the N,N'-diacetylchitobiose branch of the Escherichia coli phosphotransferase system
Jung, Y., Cai, M., Clore, G.
J. Biol. Chem. (2012), 287, 23819-23829, PubMed 22593574 , DOI 10.1074/jbc.M112.371492 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. IIA(chb)-HPr complex, entity 1, : 1 : 3 : 3 : 14 entities Detail

Related entities 2. IIA(chb)-HPr complex, entity 2, : 1 : 5 entities Detail

Interaction partners 1. IIA(chb)-HPr complex, entity 1, : 3 interactors Detail

Experiments performed 5 experiments Detail