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BMRB: 16853

2KLU

NMR structure of the transmembrane and cytoplasmic domains of human CD4

Authors

Wittlich, M., Willbold, D.

Assembly

CD4mut

Entity

1. CD4 (polymer, Thiol state: not present), 70 monomers, 7850.234 Da Detail

GPLVPRGSMA LIVLGGVAGL LLFIGLGIFF SVRSRHRRRQ AERMSQIKRL LSEKKTSQSP HRFQKTHSPI

2. DPC (non-polymer), 389.445 Da

Total weight

8239.679 Da

Max. entity weight

7850.234 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.8 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.8 % (829 of 848)	97.1 % (436 of 449)	99.1 % (326 of 329)	95.7 % (67 of 70)
Backbone	97.1 % (400 of 412)	95.8 % (137 of 143)	98.5 % (200 of 203)	95.5 % (63 of 66)
Sidechain	97.8 % (488 of 499)	96.7 % (296 of 306)	99.5 % (188 of 189)	100.0 % (4 of 4)
Aromatic	100.0 % (52 of 52)	100.0 % (26 of 26)	100.0 % (26 of 26)
Methyl	97.6 % (80 of 82)	97.6 % (40 of 41)	97.6 % (40 of 41)

1. CD4

GPLVPRGSMA LIVLGGVAGL LLFIGLGIFF SVRSRHRRRQ AERMSQIKRL LSEKKTSQSP HRFQKTHSPI

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	CD4 coreceptor polypeptide	[U-100% 13C; U-100% 15N]	0.5 ~ 1.0 mM
2	DPC	[U-100% 2H]	200 mM
3	sodium chloride	natural abundance	150 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium azide	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	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: 0.37 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: 0.37 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: -0.01 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: 0.03 ppm, Outliers: 5 Detail

Protein Blocks Logo

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

Release date

2012-08-01

Citation

Structural characterization of the transmembrane and cytoplasmic domains of human CD4
Wittlich, M., Koenig, B.W., Hoffmann, S., Willbold, D.
Biochim. Biophys. Acta (2007), 1768, 2949-2960, PubMed 18035040 , DOI 10.1016/j.bbamem.2007.10.023 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 15479 released on 2008-06-24
Title 1H, 13C and 15N Resonance Assignment for the transmembrane and cytoplasmic domains of human CD4

Related entities 1. CD4, : 1 : 5 : 23 entities Detail

Interaction partners 1. CD4, : 18 interactors Detail

More details for 18 interactors identified by 12 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC