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BMRB: 26688

2NA0

Backbone 1H, 13C, and 15N Chemical Shift Assignments of Guanylyl Cyclase Activator Protein 1 (GCAP1) mutant V77E in a Ca2+-free/Mg2+-bound Activator State

Authors

Lim, S., Ames, J.B.

Assembly

Mg2+ -bound myrGCAP1 (V77E) mutant

Entity

1. GCAP1 (V77E) mutant (polymer, Thiol state: all free), 204 monomers, 23408.89 Da Detail

GNIMDGKSVE ELSSTECHQW YKKFMTECPS GQLTLYEFRQ FFGLKNLSPW ASQYVEQMFE TFDFNKDGYI DFMEYEAALS LVLKGKVEQK LRWYFKLYDV DGNGCIDRDE LLTIIRAIRA INPCSDSTMT AEEFTDTVFS KIDVNGDGEL SLEEFMEGVQ KDQMLLDTLT RSLDLTRIVR RLQNGEQDEE GASGRETEAA EADG

2. Mg2+ -bound myrGCAP1 (V77E) mutant, entity MYR (non-polymer), 228.371 Da
3. Mg2+ -bound myrGCAP1 (V77E) mutant, entity MG (non-polymer), 24.305 Da

Total weight

23661.566 Da

Max. entity weight

23408.89 Da

Entity Connection

metal coordination 5, covalent 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:GLY1:N	2:MYR1:C1
2	metal coordination	sing	1:ASP63:OD1	3:MG1:MG
3	metal coordination	sing	1:ASN65:OD1	3:MG1:MG
4	metal coordination	sing	1:ASP67:OD1	3:MG1:MG
5	metal coordination	sing	1:TYR69:O	3:MG1:MG
6	metal coordination	sing	1:ASP71:OD1	3:MG1:MG

Source organism

Bos taurus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 64.2 %, Completeness: 31.7 %, Completeness (bb): 52.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	31.7 % (757 of 2388)	23.9 % (296 of 1241)	36.6 % (339 of 926)	55.2 % (122 of 221)
Backbone	52.0 % (633 of 1218)	49.3 % (207 of 420)	51.1 % (305 of 597)	60.2 % (121 of 201)
Sidechain	16.1 % (219 of 1359)	10.8 % (89 of 821)	24.9 % (129 of 518)	5.0 % (1 of 20)
Aromatic	2.8 % (6 of 216)	3.7 % (4 of 108)	1.9 % (2 of 105)	0.0 % (0 of 3)
Methyl	17.7 % (35 of 198)	13.1 % (13 of 99)	22.2 % (22 of 99)

1. GCAP1 (V77E) mutant

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 320 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	TRIS	[U-100% 2H]	5 mM
2	DTT	[U-100% 2H]	5 mM
3	GCAP1 (V77E) mutant	[U-100% 15N]	0.5 mM
4	MgCl2	natural abundance	5 mM
5	H2O	natural abundance	93 %
6	D2O	[U-100% 2H]	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 320 K, pH 7.4

#	Name	Isotope labeling	Concentration
7	TRIS	[U-100% 2H]	5 mM
8	DTT	[U-100% 2H]	5 mM
9	GCAP1 (V77E) mutant	[U-100% 13C; U-100% 15N]	0.5 mM
10	MgCl2	natural abundance	5 mM
11	H2O	natural abundance	93 %
12	D2O	[U-100% 2H]	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 320 K, pH 7.4

#	Name	Isotope labeling	Concentration
13	TRIS	[U-100% 2H]	5 mM
14	DTT	[U-100% 2H]	5 mM
15	GCAP1 (V77E) mutant	[U-13C; U-15N; U-2H]	0.5 mM
16	MgCl2	natural abundance	5 mM
17	H2O	natural abundance	93 %
18	D2O	[U-100% 2H]	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.599 ppm	na	indirect	0.2514495
¹H	water	protons	4.639 ppm	internal	direct	1.0
¹⁵N	water	protons	117.94 ppm	na	indirect	0.1013291

Referencing offset: -0.3 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.599 ppm	na	indirect	0.2514495
¹H	water	protons	4.639 ppm	internal	direct	1.0
¹⁵N	water	protons	117.94 ppm	na	indirect	0.1013291

Referencing offset: -0.3 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.599 ppm	na	indirect	0.2514495
¹H	water	protons	4.639 ppm	internal	direct	1.0
¹⁵N	water	protons	117.94 ppm	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	41.599 ppm	na	indirect	0.2514495
¹H	water	protons	4.639 ppm	internal	direct	1.0
¹⁵N	water	protons	117.94 ppm	na	indirect	0.1013291

Referencing offset: -0.4 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2NA0, Strand ID: A Detail

Release date

2015-12-27

Citation

Structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) Mutant V77E in a Ca2+-free/Mg2+-bound Activator State
Lim, S., Peshenko, I.V., Olshevskaya, E.V., Dizhoor, A.M., Ames, J.B.
J. Biol. Chem. (2016), 291, 4429-4441, PubMed 26703466 , DOI 10.1074/jbc.M115.696161 , Abstract

Related entities 1. GCAP1 (V77E) mutant, : 1 : 1 : 85 entities Detail

Interaction partners 1. GCAP1 (V77E) mutant, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC