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BMRB: 18888

2M20

EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure.

Authors

Endres, N.F., Das, R., Smith, A., Arkhipov, A., Kovacs, E., Huang, Y., Pelton, J.G., Shan, Y., Shaw, D.E., Wemmer, D.E., Groves, J.T., Kuriyan, J.

Assembly

EGFR transmembrane - juxtamembrane (TM-JM) segment

Entity

1. EGFR transmembrane - juxtamembrane (TM-JM) segment (polymer, Thiol state: not present), 60 monomers, 6767.153 × 2 Da Detail

KIPSIATGLV GALLLLLVVA LGIGLFIRRR HIVRKRTLRR LLQERELVEP LTPSGEKLWS

Total weight

13534.306 Da

Max. entity weight

6767.153 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 72.5 %, Completeness (bb): 93.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.5 % (535 of 738)	64.8 % (250 of 386)	78.2 % (229 of 293)	94.9 % (56 of 59)
Backbone	93.8 % (332 of 354)	92.6 % (113 of 122)	94.3 % (165 of 175)	94.7 % (54 of 57)
Sidechain	58.8 % (258 of 439)	52.3 % (138 of 264)	68.2 % (118 of 173)	100.0 % (2 of 2)
Aromatic	11.5 % (3 of 26)	15.4 % (2 of 13)	0.0 % (0 of 12)	100.0 % (1 of 1)
Methyl	68.5 % (74 of 108)	70.4 % (38 of 54)	66.7 % (36 of 54)

1. EGFR TM-JM

KIPSIATGLV GALLLLLVVA LGIGLFIRRR HIVRKRTLRR LLQERELVEP LTPSGEKLWS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 6.2 (±0.2)

#	Name	Isotope labeling	Concentration
1	EGFR TM-JM	[U-100% 13C; U-100% 15N; U-80% 2H]	0.300 mM
2	MES	natural abundance	50 mM
3	TCEP	natural abundance	5 mM
4	EDTA	natural abundance	1 mM
5	AMESF	natural abundance	0.05 mM
6	D2O	[U-2H]	10 %
7	sodium azide	natural abundance	0.02 %
8	DMPC (D54)	[U-99% 2H]	9.4 mM
9	DHPC (D22)	[U-99% 2H]	37.98 mM
10	H2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 6.2 (±0.2)

#	Name	Isotope labeling	Concentration
11	EGFR TM-JM	[U-100% 13C; U-100% 15N]	0.300 mM
12	MES	natural abundance	50 mM
13	TCEP	natural abundance	5 mM
14	EDTA	natural abundance	1 mM
15	AMESF	natural abundance	0.05 mM
16	D2O	[U-2H]	10 %
17	sodium azide	natural abundance	0.02 %
18	DMPC (D54)	[U-99% 2H]	9.4 mM
19	DHPC (D22)	[U-99% 2H]	37.98 mM
20	H2O	natural abundance	90 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 312 K, pH 6.2 (±0.2)

#	Name	Isotope labeling	Concentration
21	EGFR TM-JM	natural abundance	0.300 mM
22	MES	natural abundance	50 mM
23	TCEP	natural abundance	5 mM
24	EDTA	natural abundance	1 mM
25	AMESF	natural abundance	0.05 mM
26	D2O	[U-2H]	10 %
27	sodium azide	natural abundance	0.02 %
28	DMPC (D54)	[U-99% 2H]	18.8 mM
29	DHPC (D22)	[U-99% 2H]	77.86 mM
30	EGFR TM-JM	natural abundance	0.300 mM
31	H2O	natural abundance	90 %

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: -0.11 ppm, Outliers: 2 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: -0.11 ppm, Outliers: 2 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: 0.07 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: 0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M20, Strand ID: A, B Detail

Release date

2013-02-13

Citation 1

Conformational coupling across the plasma membrane in activation of the EGF receptor
Endres, N.F., Das, R., Smith, A., Arkhipov, A., Kovacs, E., Huang, Y., Pelton, J.G., Shan, Y., Shaw, D.E., Wemmer, D.E., Groves, J.T., Kuriyan, J.
Cell (2013), 152, 543-556, PubMed 23374349 , DOI 10.1016/j.cell.2012.12.032 , Abstract

Show more 1 citaion

Citation 2

Architecture and membrane interactions of the EGF receptor
Arkhipov, A., Shan, Y., Das, R., Endres, N., Eastwood, M.P., Wemmer, D.E., Kuriyan, J., Shaw, D.E.
Cell (2013), 152, 557-569, PubMed 23374350 , DOI 10.1016/j.cell.2012.12.030 , Abstract

Hide non-primary 1 citaion

Related entities 1. EGFR transmembrane - juxtamembrane (TM-JM) segment, : 1 : 41 entities Detail

Interaction partners 1. EGFR transmembrane - juxtamembrane (TM-JM) segment, : 293 interactors Detail

More details for 293 interactors identified by 80 citations