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BMRB: 6248

1TTV

NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor

Authors

Fry, D.C., Emerson, S.D., Palme, S., Vu, B.T., Liu, C.M., Podlaski, F.

Assembly

MDM2

Entity

1. Double minute 2 protein (polymer, Thiol state: all free), 107 monomers, 12190.75 Da Detail

NHISTSDQEK LVQPTPLLLS LLKSAGAQKE TFTMKEVLYH LGQYIMAKQL YDEKQQHIVH CSNDPLGELF GVQEFSVKEH RRIYAMISRN LVSANVKESS EDIFGNV

2. IMY (non-polymer), 567.506 Da

Total weight

12758.256 Da

Max. entity weight

12190.75 Da

Source organism

Xenopus laevis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 87.7 %, Completeness (bb): 81.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.7 % (1122 of 1279)	94.6 % (631 of 667)	76.6 % (379 of 495)	95.7 % (112 of 117)
Backbone	81.8 % (520 of 636)	96.3 % (208 of 216)	66.8 % (211 of 316)	97.1 % (101 of 104)
Sidechain	94.0 % (700 of 745)	93.8 % (423 of 451)	94.7 % (266 of 281)	84.6 % (11 of 13)
Aromatic	84.8 % (78 of 92)	84.8 % (39 of 46)	84.8 % (39 of 46)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. Double minute 2 protein

NHISTSDQEK LVQPTPLLLS LLKSAGAQKE TFTMKEVLYH LGQYIMAKQL YDEKQQHIVH CSNDPLGELF GVQEFSVKEH RRIYAMISRN LVSANVKESS EDIFGNV

Show sample condition

Sample

Temperature 293 (±0.1) K, pH 7.0 (±0.02)

#	Name	Isotope labeling	Concentration
1	Double minute 2 protein	[U-13C; U-15N]	0.6 mM
2	1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE		0.6 mM
3	MES	[d-13]	50 mM
4	KCl		150 mM
5	DTT	[d-10]	50 mM
6	NaN3		1.5 mM
7	D2O		8 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 18 models in PDB: 1TTV, Strand ID: A Detail

Release date

2004-11-28

Citation

NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor
Fry, D.C., Emerson, S.D., Palme, S., Vu, B.T., Liu, C., Podlaski, F.
J. Biomol. NMR (2004), 30, 163-173

Related entities 1. Double minute 2 protein, : 1 : 104 entities Detail

Interaction partners 1. Double minute 2 protein, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 7 experiments Detail

1 1H-15N-HSQC