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BMRB: 11569

2RUH

Chemical Shift Assignments for MIP and MDM2 in bound state

Authors

Nagata, T., Shirakawa, K., Kobayashi, N., Shiheido, H., Horisawa, K., Katahira, M., Doi, N., Yanagawa, H.

Assembly

MIP-MDM2

Entity

1. MIP-MDM2 (polymer, Thiol state: all free), 131 monomers, 15015.28 Da Detail

MPRFWEYWLR LMEGGGENLY FQGMSVPTDG AVTTSQIPAS EQETLVRPKP LLLKLLKSVG AQKDTYTMKE VLFYLGQYIM TKRLYDEKQQ HIVYCSNDLL GDLFGVPSFS VKEHRKIYTM MASMTGGQQM G

Formula weight

15015.28 Da

Source organism

Exptl. method

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.9 %, Completeness: 88.8 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1405 of 1582)	85.8 % (709 of 826)	93.4 % (577 of 618)	86.2 % (119 of 138)
Backbone	91.6 % (709 of 774)	88.4 % (237 of 268)	94.0 % (358 of 381)	91.2 % (114 of 125)
Sidechain	87.4 % (810 of 927)	84.6 % (472 of 558)	93.5 % (333 of 356)	38.5 % (5 of 13)
Aromatic	89.0 % (130 of 146)	86.3 % (63 of 73)	91.5 % (65 of 71)	100.0 % (2 of 2)
Methyl	97.0 % (130 of 134)	97.0 % (65 of 67)	97.0 % (65 of 67)

1. MIP-MDM2

MPRFWEYWLR LMEGGGENLY FQGMSVPTDG AVTTSQIPAS EQETLVRPKP LLLKLLKSVG AQKDTYTMKE VLFYLGQYIM TKRLYDEKQQ HIVYCSNDLL GDLFGVPSFS VKEHRKIYTM MASMTGGQQM G

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2RUH, Strand ID: A Detail

Release date

2015-06-01

Citation

Structural basis for inhibition of the MDM2:p53 interaction by an optimized MDM2-binding peptide selected with mRNA display
Nagata, T., Shirakawa, K., Kobayashi, N., Shiheido, H., Horisawa, K., Katahira, M., Doi, N., Yanagawa, H.
PLoS One (2014), 9, e109163-e109163, PubMed 25275651 , DOI 10.1371/journal.pone.0109163 , Abstract

Related entities 1. MIP-MDM2, : 1 : 3 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

2 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

3 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

4 3D C(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

5 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

6 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

7 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

8 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

9 3D HN(CO)CA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

10 3D H(CCO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

11 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

12 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

13 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

14 3D HCCH-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6

#	Name	Isotope labeling	Type	Concentration
1	MIP-MDM2 fusion	[U-100% 13C; U-100% 15N]	protein	300 uM
2	TRIS	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	300 mM
4	H2O	natural abundance	solvent	95 %
5	D2O	natural abundance	solvent	5 %

nullKeywords Protein