BMRB: 15945

MDM2 N-terminal domain

Authors

Riedinger, C., Mcdonnell, J.M.

Assembly

MDM2 N-terminal domain, residues 17-125

Entity

1. MDM2 N-terminal domain, residues 17-125 (polymer, Thiol state: all free), 114 monomers, 12931.67 Da Detail

GPLGSSQIPA SEQETLVRPK PLLLKLLKSV GAQKDTYTMK EVLFYLGQYI MTKRLYDEKQ QHIVYCSNDL LGDLFGVPSF SVKEHRKIYT MIYRNLVVVN QQESSDSGTS VSEN

Formula weight

12931.67 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 43.0 %, Completeness (bb): 71.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	43.0 % (587 of 1365)	35.1 % (250 of 713)	44.6 % (237 of 531)	82.6 % (100 of 121)
Backbone	71.1 % (479 of 674)	71.7 % (165 of 230)	63.9 % (214 of 335)	91.7 % (100 of 109)
Sidechain	24.8 % (198 of 798)	17.2 % (83 of 483)	38.0 % (115 of 303)	0.0 % (0 of 12)
Aromatic	9.6 % (9 of 94)	12.8 % (6 of 47)	6.4 % (3 of 47)
Methyl	14.4 % (19 of 132)	13.6 % (9 of 66)	15.2 % (10 of 66)

1. human mdm2 N-terminal domain

GPLGSSQIPA SEQETLVRPK PLLLKLLKSV GAQKDTYTMK EVLFYLGQYI MTKRLYDEKQ QHIVYCSNDL LGDLFGVPSF SVKEHRKIYT MIYRNLVVVN QQESSDSGTS VSEN

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Sample

Solvent system 5% D20, 5% glycerol, 90% water, Pressure 1 atm, Temperature 293.15 K, pH 6.5, Details prepared as GST-fusion in a 3-step purification procedure comprising affinity chromatography, 3C precision protease cleavage and a final gel filtration step.

#	Name	Isotope labeling	Type	Concentration
1	H2O	natural abundance		90 %
2	D2O	natural abundance		5 %
3	DMSO	natural abundance		5 %
4	NaCl	natural abundance		50 mM
5	Sodium Phosphate pH 6.5	natural abundance		25 mM
6	Mono-Thioglycerol	natural abundance		0.02 %
7	Sodium Azide	natural abundance		0.02 %
8	glycerol	natural abundance		5 %
9	human_mdm2_N-terminal_domain	natural abundance

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LACS Plot; CA

Referencing offset: 0.08 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

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LACS Plot; CB

Referencing offset: 0.08 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0

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Release date

2008-10-12

Citation

Analysis of chemical shift changes reveals the binding modes of isoindolinone inhibitors of the MDM2-p53 interaction
Riedinger, C., Endicott, J.A., Kemp, S.J., Smyth, L.A., Watson, A., Valeur, E., Golding, B.T., Griffin, R.J., Hardcastle, I.R., Noble, M.E., McDonnell, J.M.
J. Am. Chem. Soc. (2008), 130, 16038-16044, PubMed 18959403 , DOI 10.1021/ja8062088 , Abstract

Related entities 1. MDM2 N-terminal domain, residues 17-125, : 1 : 76 : 37 entities Detail

Interaction partners 1. MDM2 N-terminal domain, residues 17-125, : 170 interactors Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail