BMRB: 17453

Oligomeric Structure of the Chemokine CCL5/RANTES from NMR, MS, and SAXS Data

Authors

Wang, X., Watson, C.M., Sharp, J.S., Handel, T.M., Prestegard, J.H.

Assembly

ccl5

Entity

1. ccl5 (polymer, Thiol state: all disulfide bound), 68 monomers, 7850.920 × 4 Da Detail

SPYSSDTTPC CFAYIARPLP RAHIKEYFYT SGKCSNPAVV FVTRKNRQVC ANPEKKWVRE YINSLEMS

Total weight

31403.68 Da

Max. entity weight

7850.92 Da

Entity Connection

disulfide 13 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS50:SG
2	disulfide	sing	1:CYS34:SG	2:CYS34:SG
3	disulfide	sing	1:CYS34:SG	3:CYS34:SG
4	disulfide	sing	1:CYS34:SG	4:CYS34:SG
5	disulfide	sing	2:CYS34:SG	3:CYS34:SG
6	disulfide	sing	2:CYS34:SG	4:CYS34:SG
7	disulfide	sing	3:CYS34:SG	4:CYS34:SG
8	disulfide	sing	1:CYS10:SG	2:CYS10:SG
9	disulfide	sing	1:CYS10:SG	3:CYS10:SG
10	disulfide	sing	1:CYS10:SG	4:CYS10:SG
11	disulfide	sing	2:CYS10:SG	3:CYS10:SG
12	disulfide	sing	2:CYS10:SG	4:CYS10:SG
13	disulfide	sing	3:CYS10:SG	4:CYS10:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics, SAXS-potential guided scoring within grid search

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.8 %, Completeness: 27.4 %, Completeness (bb): 61.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	27.4 % (135 of 493)	18.1 % (77 of 425)	85.3 % (58 of 68)
Backbone	61.7 % (119 of 193)	46.6 % (61 of 131)	93.5 % (58 of 62)
Sidechain	5.3 % (16 of 300)	5.4 % (16 of 294)	0.0 % (0 of 6)
Aromatic	0.0 % (0 of 44)	0.0 % (0 of 43)	0.0 % (0 of 1)
Methyl	3.4 % (1 of 29)	3.4 % (1 of 29)

1. ccl5

SPYSSDTTPC CFAYIARPLP RAHIKEYFYT SGKCSNPAVV FVTRKNRQVC ANPEKKWVRE YINSLEMS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297 K, pH 4.4, Details isotropic sample

#	Name	Isotope labeling	Type	Concentration
1	ccl5	[U-100% 15N]		1 mM
2	sodium acetate	natural abundance		50 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297 K, pH 4.4, Details stretched neutral gel for alignment

#	Name	Isotope labeling	Type	Concentration
5	ccl5	[U-100% 15N]		1 mM
6	sodium acetate	natural abundance		50 mM
7	polyacrylamide	natural abundance		5 %
8	H2O	natural abundance		90 %
9	D2O	natural abundance		10 %

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Protein Blocks Logo

Calculated from 1 models in PDB: 2L9H, Strand ID: A, B, C, D Detail

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Release date

2011-02-17

Citation

Oligomeric structure of the chemokine CCL5/RANTES from NMR, MS, and SAXS data
Wang, X., Watson, C., Sharp, J.S., Handel, T.M., Prestegard, J.H.
Structure (2011), 19, 1138-1148, PubMed 21827949 , DOI 10.1016/j.str.2011.06.001 , Abstract

Related entities 1. ccl5, : 1 : 8 : 2 : 14 : 248 entities Detail

Interaction partners 1. ccl5, : 51 interactors Detail

Experiments performed 5 experiments Detail