BMRB: 6038

NMR Structure of CXC Chemokine CXCL11/ITAC

Authors

Booth, V., Clark-Lewis, I., Sykes, B.D.

Assembly

Small inducible cytokine B11

Entity

1. Small inducible cytokine B11 (polymer, Thiol state: all disulfide bound), 73 monomers, 8306.924 Da Detail

FPMFKRGRCL CIGPGVKAVK VADIEKASIM YPSNNCDKIE VIITLKENKG QRCLNPKSKQ ARLIIKKVER KNF

Formula weight

8306.924 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:CYS36:SG
2	disulfide	sing	1:CYS11:SG	1:CYS53:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 78.1 %, Completeness: 56.3 %, Completeness (bb): 72.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	56.3 % (273 of 485)	56.3 % (273 of 485)
Backbone	72.6 % (106 of 146)	72.6 % (106 of 146)
Sidechain	49.3 % (167 of 339)	49.3 % (167 of 339)
Aromatic	10.5 % (2 of 19)	10.5 % (2 of 19)
Methyl	76.9 % (30 of 39)	76.9 % (30 of 39)

1. Small inducible cytokine B11

FPMFKRGRCL CIGPGVKAVK VADIEKASIM YPSNNCDKIE VIITLKENKG QRCLNPKSKQ ARLIIKKVER KNF

Show sample condition

Sample

Pressure 1 atm, Temperature 318 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Small inducible cytokine B11			2 mM
2	deuterated sodium acetate			20 mM
3	sodium azide			1 mM
4	DSS			1 mM
5	H2O			90 %
6	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 80.8 %, Completeness: 61.5 %, Completeness (bb): 76.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	61.5 % (597 of 970)	61.5 % (597 of 970)
Backbone	76.4 % (223 of 292)	76.4 % (223 of 292)
Sidechain	55.2 % (374 of 678)	55.2 % (374 of 678)
Aromatic	15.8 % (6 of 38)	15.8 % (6 of 38)
Methyl	87.2 % (68 of 78)	87.2 % (68 of 78)

1. Small inducible cytokine B11

FPMFKRGRCL CIGPGVKAVK VADIEKASIM YPSNNCDKIE VIITLKENKG QRCLNPKSKQ ARLIIKKVER KNF

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	Small inducible cytokine B11			2 mM
2	deuterated sodium acetate			20 mM
3	sodium azide			1 mM
4	DSS			1 mM
5	H2O			90 %
6	D2O			10 %

Hide sample codition

Chem. Shift Complete3

Sequence coverage: 80.8 %, Completeness: 61.9 %, Completeness (bb): 76.5 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	61.9 % (901 of 1455)	61.9 % (901 of 1455)
Backbone	76.5 % (335 of 438)	76.5 % (335 of 438)
Sidechain	55.7 % (566 of 1017)	55.7 % (566 of 1017)
Aromatic	17.5 % (10 of 57)	17.5 % (10 of 57)
Methyl	90.6 % (106 of 117)	90.6 % (106 of 117)

1. Small inducible cytokine B11

FPMFKRGRCL CIGPGVKAVK VADIEKASIM YPSNNCDKIE VIITLKENKG QRCLNPKSKQ ARLIIKKVER KNF

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	Small inducible cytokine B11			2 mM
2	deuterated sodium acetate			20 mM
3	sodium azide			1 mM
4	DSS			1 mM
5	H2O			90 %
6	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 10 models in PDB: 1RJT, Strand ID: A Detail

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Release date

2003-12-10

Citation

NMR structure of CXCR3 binding chemokine CXCL11 (ITAC)
Booth, V., Clark-Lewis, I., Sykes, B.D.
Protein Sci. (2004), 13, 2022-2028, PubMed 15273303 , DOI 10.1110/ps.04791404 , Abstract

Related entities 1. Small inducible cytokine B11, : 1 : 3 : 131 entities Detail

Interaction partners 1. Small inducible cytokine B11, : 25 interactors Detail

Experiments performed 4 experiments Detail