. Author manuscript; available in PMC: 2019 Oct 19.

Published in final edited form as: J Mol Biol. 2018 Sep 5;430(21):4325–4343. doi: 10.1016/j.jmb.2018.08.026

Table 2:

Impact of the molecular switch between L2 and L3. a) Comparison of the residues in L2 and L3 that contact the L2L3 linker (a.a. 474-488) within 5 Å. Differences between n1α L2-L3 and n1α L1-L6 are in bold.; b) Comparison of the residues in L2 and L3 that form interdomain contacts (within 5 Å) independent of the L2L3 linker. Differences between n1α L2-L3 and n1α L1-L6 are in bold.; c) Interactions at the interface between L2 and L3 that are selectively found in the ‘open’ and ‘closed’ form (L2 domain: a.a. 279-473; L2L3 linker: a.a. 474-488; L3 domain: a.a. 489-673).

(a)						(b)
n1α L2-L3			n1α L1-L6 (pdbid:3QCW)			n1α L2-L3			n1α L1-L6 (pdbid:3QCW)
L2 domain						L2 domain
ILE²⁸³	ALA²⁸⁴	THR²⁸⁵	ILE²⁸³	ALA²⁸⁴	THR²⁸⁵	LYS²⁸⁷	SER²⁸⁹	GLU²⁹⁰	GLY²⁸⁸	SER²⁸⁹	GLN³¹⁶
PHE²⁸⁶	LYS²⁸⁷	SER²⁸⁹		LYS²⁸⁷	SER²⁸⁹				ASN³³⁷	PRO⁴²⁷	SER⁴²⁸
GLU²⁹⁰		PHE²⁹²	GLU²⁹⁰	TYR²⁹¹					THR⁴²⁹	ALA⁴³⁰	ASP⁴³¹
LYS³¹³	THR³¹⁴	LEU³¹⁵	LYS³¹³		LEU³¹⁵				SER⁴³⁸	ASN⁴³⁹	ASN⁴⁴⁰
ASN³⁶⁵	TRP³⁶⁷	MET⁴⁴²	ASN³⁶⁵	TRP³⁶⁷	MET⁴⁴²				MET⁴⁴²
GLY⁴⁴³	CYS⁴⁴⁴			CYS⁴⁴⁴	Ser⁴⁶⁰
ALA⁴⁶³	LYS⁴⁶⁴	ILE⁴⁷²	ALA⁴⁶³	LYS⁴⁶⁴	ILE⁴⁷²
HIS⁴⁷³			HIS⁴⁷³
L3 domain						L3 domain
ILE⁴⁸⁹	THR⁴⁹⁰	ASP⁵¹⁴	ILE⁴⁸⁹	THR⁴⁹⁰		ASP⁵¹⁴	TRP⁵⁸²	ARG⁶⁵²	THR⁵⁰⁸	GLY⁵⁰⁹	SER⁵¹⁰
TRP⁵⁸²	HIS⁵⁸⁴	CYS⁶⁵⁰	TRP⁵⁸²			ASP⁶⁵³			SER⁵¹²	GLN⁵⁸⁸	THR⁶⁰⁰
ILE⁶⁵¹	ARG⁶⁵²	ASP⁶⁵³	ILE⁶⁵¹	ARG⁶⁵²	ASP⁶⁵³				PHE⁶⁵⁵	ASP⁶⁵⁷	GLY⁶⁵⁸
PHE⁶⁵⁵	Gly⁶⁵⁸								GLN⁶⁵⁹	SER⁶⁶⁰
SER⁶⁶⁰	LYS⁶⁶¹	ASP⁶⁶²	SER⁶⁶⁰	LYS661	ASP⁶⁶²
			Ile⁶⁶³	Arg⁶⁶⁴

(c)
n1α L2-L3			n1α L1-L6 (pdbid:3QCW)
Interaction L2 with L2L3 linker
Hydrogen bonds:			Hydrogen bonds:
L2	[Å]	L2L3 linker	L2	[Å]	L2L3 linker
GLU²⁹⁰[OE2]	2.9	VAL⁴⁷⁵[ N ]
			ILE⁴⁷²[ O ]	3.1	GLY⁴⁷⁴[ N ]
Interaction L3 with L2L3 linker
Hydrogen bonds:
L3	[Å]	L2L3 linker
ASP⁶⁵³[ N ]	3.2	THR⁴⁸⁵[ O ]
ASP⁶⁵³[ Oδ1 ]	2.6	THR⁴⁸⁵[ Oγ1 ]
Interaction L2 and L3
Hydrogen bonds:			Hydrogen bonds:
L2	[Å]	L3	L2	[Å]	L3
LYS²⁸⁷[ O ]	3.4	ARG⁶⁵²[ NH1 ]
			ASN⁴⁴⁰[ N ]	3.1	GLY⁶⁵⁸ [ O ]
			ASN⁴⁴⁰[ Nδ2 ]	2.9	GLY⁶⁵⁸ [ O ]
			ASP⁴³¹[ Oδ2 ]	2.7	THR⁵⁰⁸[ Oγ1 ]
Salt bridges:
L2	[Å]	L3
LYS²⁸⁷[ Nζ ]	2.9	ASP⁵¹⁴[ Oδ2 ]
LYS²⁸⁷[ Nζ ]	3.2	ASP⁶⁵³[ Oδ2 ]