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BMRB: 16559

2KPL

MAGI-1 PDZ1 / E6CT

Authors

Charbonier, S., Nomine, Y., Ramirez, J., Luck, K., Stote, R.H., Trave, G., Kieffer, B., Atkinson, R.A.

Assembly

MAGI-1 PDZ1 / E6CT

Entity

1. MAGI-1 PDZ1 (polymer, Thiol state: all free), 129 monomers, 13855.68 Da Detail

GAMGKPFFTR NPSELKGKFI HTKLRKSSRG FGFTVVGGDE PDEFLQIKSL VLDGPAALDG KMETGDVIVS VNDTCVLGHT HAQVVKIFQS IPIGASVDLE LCRGYPLPFD PDDPNTSLVT SVAILDKEP

2. E6CT (polymer, Thiol state: not present), 11 monomers, 1375.494 Da Detail

RSSRTRRETQ V

Total weight

15231.174 Da

Max. entity weight

13855.68 Da

Source organism

Homo sapiens , Human papillomavirus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_density_values

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 83.9 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.9 % (1336 of 1592)	87.9 % (727 of 827)	79.5 % (499 of 628)	80.3 % (110 of 137)
Backbone	82.8 % (679 of 820)	89.4 % (253 of 283)	78.9 % (321 of 407)	80.8 % (105 of 130)
Sidechain	84.2 % (757 of 899)	87.1 % (474 of 544)	79.9 % (278 of 348)	71.4 % (5 of 7)
Aromatic	87.0 % (87 of 100)	88.0 % (44 of 50)	86.0 % (43 of 50)
Methyl	88.1 % (141 of 160)	91.3 % (73 of 80)	85.0 % (68 of 80)

1. MAGI-1 PDZ1

GAMGKPFFTR NPSELKGKFI HTKLRKSSRG FGFTVVGGDE PDEFLQIKSL VLDGPAALDG KMETGDVIVS VNDTCVLGHT HAQVVKIFQS IPIGASVDLE LCRGYPLPFD PDDPNTSLVT SVAILDKEP

2. E6CT

RSSRTRRETQ V

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	MAGI-1 PDZ1	natural abundance	0.2 ~ 0.6 mM
2	sodium phosphate	natural abundance	0.02 ~ 0.1 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	E6CT	natural abundance	0.6 ~ 1.8 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8

#	Name	Isotope labeling	Concentration
6	MAGI-1 PDZ1	[U-15N]	0.2 ~ 0.6 mM
7	sodium phosphate	natural abundance	0.02 ~ 0.1 mM
8	sodium chloride	natural abundance	50 mM
9	DTT	natural abundance	2 mM
10	E6CT	natural abundance	0.6 ~ 1.8 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8

#	Name	Isotope labeling	Concentration
11	MAGI-1 PDZ1	[U-100% 13C; U-100% 15N]	0.2 ~ 0.6 mM
12	sodium phosphate	natural abundance	0.02 ~ 0.1 mM
13	sodium chloride	natural abundance	50 mM
14	DTT	natural abundance	2 mM
15	E6CT	natural abundance	0.6 ~ 1.8 mM

LACS Plot; CA

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

Referencing offset: 0.08 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.08 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.27 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2012-05-08

Citation

The structural and dynamic response of MAGI-1 PDZ1 with noncanonical domain boundaries to the binding of human papillomavirus E6
Charbonier, S., Nomine, Y., Ramirez, J., Luck, K., Chapelle, A., Stote, R.H., Trave, G., Kieffer, B., Atkinson, R.A.
J. Mol. Biol. (2011), 406, 745-763, PubMed 21238461 , DOI 10.1016/j.jmb.2011.01.015 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16558 released on 2012-05-08
Title MAGI-1 PDZ1

Related entities 1. MAGI-1 PDZ1, : 4 : 47 entities Detail

Experiments performed 16 experiments Detail

1 3D HN(CO)CA