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BMRB: 16839

2KUM

Solution structure of the human chemokine CCL27

Authors

Kirkpatrick, J.P., Jansma, A., Hsu, A., Handel, T.M., Nietlispach, D.

Assembly

chemokine CCL27

Entity

1. chemokine CCL27 (polymer, Thiol state: all disulfide bound), 88 monomers, 10149.80 Da Detail

FLLPPSTACC TQLYRKPLSD KLLRKVIQVE LQEADGDCHL QAFVLHLAQR SICIHPQNPS LSQWFEHQER KLHGTLPKLN FGMLRKMG

Formula weight

10149.8 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS38:SG
2	disulfide	sing	1:CYS10:SG	1:CYS53:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.3 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.3 % (1052 of 1081)	97.5 % (556 of 570)	97.1 % (406 of 418)	96.8 % (90 of 93)
Backbone	97.1 % (501 of 516)	96.6 % (168 of 174)	97.7 % (254 of 260)	96.3 % (79 of 82)
Sidechain	97.8 % (635 of 649)	98.0 % (388 of 396)	97.5 % (236 of 242)	100.0 % (11 of 11)
Aromatic	85.0 % (68 of 80)	85.0 % (34 of 40)	84.6 % (33 of 39)	100.0 % (1 of 1)
Methyl	100.0 % (98 of 98)	100.0 % (49 of 49)	100.0 % (49 of 49)

1. chemokine CCL27

FLLPPSTACC TQLYRKPLSD KLLRKVIQVE LQEADGDCHL QAFVLHLAQR SICIHPQNPS LSQWFEHQER KLHGTLPKLN FGMLRKMG

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	CCL27	[U-15N]	1.05 mM
2	EDTA	[U-2H]	0.1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
5	CCL27	[U-13C; U-15N]	0.5 mM
6	EDTA	[U-2H]	0.1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.39 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2KUM, Strand ID: A Detail

Release date

2010-05-09

Citation

NMR analysis of the structure, dynamics, and unique oligomerization properties of the chemokine CCL27
Jansma, A., Kirkpatrick, J.P., Hsu, A., Handel, T.M., Nietlispach, D.
J. Biol. Chem. (2010), 285, 14424-14437, PubMed 20200157 , DOI 10.1074/jbc.M109.091108 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q9Y4X3 released on 2000-05-30
Title CCL27_HUMAN Entity C-C motif chemokine 27

Related entities 1. chemokine CCL27, : 1 : 2 : 12 entities Detail

Interaction partners 1. chemokine CCL27, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC