BMRB: 4397

Solution Structure of the CX3C Chemokine Domain of Fractalkine

Authors

Handel, T.M., Mizoue, L.S., Bazan, J.F., Johnson, E.C.

Assembly

fractalkine

Entity

1. fractalkine (polymer, Thiol state: all disulfide bound), 77 monomers, 8770.098 Da Detail

MQHHGVTKCN ITCSKMTSKI PVALLIHYQQ NQASCGKRAI ILETRQHRLF CADPKEQWVK DAMQHLDRQA AALTRNG

Formula weight

8770.098 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS35:SG
2	disulfide	sing	1:CYS13:SG	1:CYS51:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

RESTRAINED MOLECULAR DYNAMICS-SIMULATED ANNEALING COUPLED WITH THE AMBIGUOUS RESTRAINTS FOR ITERATIVE ASSIGNMENT (ARIA) EXTENSION OF NILGES (M.NILGES, J. MOL. BIOL. 245, 645-660, 1995).

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 84.6 %, Completeness (bb): 80.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	84.6 % (767 of 907)	89.9 % (428 of 476)	74.1 % (255 of 344)	96.6 % (84 of 87)
Backbone	80.6 % (369 of 458)	94.2 % (146 of 155)	66.2 % (151 of 228)	96.0 % (72 of 75)
Sidechain	89.9 % (470 of 523)	87.9 % (282 of 321)	92.6 % (176 of 190)	100.0 % (12 of 12)
Aromatic	70.0 % (35 of 50)	80.0 % (20 of 25)	58.3 % (14 of 24)	100.0 % (1 of 1)
Methyl	97.6 % (80 of 82)	97.6 % (40 of 41)	97.6 % (40 of 41)

1. fractalkine

MQHHGVTKCN ITCSKMTSKI PVALLIHYQQ NQASCGKRAI ILETRQHRLF CADPKEQWVK DAMQHLDRQA AALTRNG

Show sample condition

Sample

Pressure 1 atm, Temperature 295.5 (±0.5) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	fractalkine	[U-15N; U-13C]		1.6 mM

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LACS Plot; CA

Referencing offset: -0.08 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.08 ppm, Outliers: 2 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.02 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 1B2T, Strand ID: A Detail

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Release date

1999-09-08

Citation

Solution structure and dynamics of the CX3C chemokine domain of fractalkine and its interaction with an N-terminal fragment of CX3CR1
Mizoue, L.S., Bazan, J.F., Johnson, E.C., Handel, T.M.
Biochemistry (1999), 38, 1402-1414, PubMed 9931005 , DOI 10.1021/bi9820614 , Abstract

Related entities 1. fractalkine, : 1 : 13 : 53 entities Detail

Interaction partners 1. fractalkine, : 12 interactors Detail

Experiments performed 3 experiments Detail