BMRB: 10242

Solution structures of the PDZ domain of human Interleukin-16

Authors

Sato, M., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Assembly

Interleukin-16

Entity

1. Interleukin-16 (polymer, Thiol state: not present), 119 monomers, 12302.70 Da Detail

GSSGSSGATL KQLDGIHVTI LHKEEGAGLG FSLAGGADLE NKVITVHRVF PNGLASQEGT IQKGNEVLSI NGKSLKGTTH HDALAILRQA REPRQAVIVT RKLTPEAMPD LNSSGPSSG

Formula weight

12302.7 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 92.4 %, Completeness (bb): 91.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	92.4 % (1190 of 1288)	91.9 % (612 of 666)	93.4 % (465 of 498)	91.1 % (113 of 124)
Backbone	91.3 % (643 of 704)	91.2 % (227 of 249)	91.5 % (312 of 341)	91.2 % (104 of 114)
Sidechain	93.9 % (645 of 687)	92.3 % (385 of 417)	96.5 % (251 of 260)	90.0 % (9 of 10)
Aromatic	100.0 % (40 of 40)	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. PDZ domain

GSSGSSGATL KQLDGIHVTI LHKEEGAGLG FSLAGGADLE NKVITVHRVF PNGLASQEGT IQKGNEVLSI NGKSLKGTTH HDALAILRQA REPRQAVIVT RKLTPEAMPD LNSSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]	protein	1 mM
2	d-Tris HCl		buffer	20 mM
3	NaCl		salt	100 mM
4	d-DTT		salt	1 mM
5	NaN3		salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: 0.15 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.15 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.04 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	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.04 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	null	indirect	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: 1X6D, Strand ID: A Detail

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Release date

2009-11-02

Citation

Solution structures of the PDZ domain of human Interleukin-16
Sato, M., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Interleukin-16, : 1 : 2 : 131 entities Detail

Interaction partners 1. Interleukin-16, : 8 interactors Detail

Experiments performed 2 experiments Detail