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BMRB: 30094

5JZR

Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles

Authors

Jaudzems, K., Andreas, L.B., Stanek, J., Lalli, D., Bertarello, A., Le Marchand, T., Cala-De Paepe, D., Kotelovica, S., Akopjana, I., Knott, B., Wegner, S., Engelke, F., Lesage, A., Emsley, L., Tars, K., Herrmann, T., Pintacuda, G.

Assembly

Coat protein

Entity

1. Coat protein (polymer, Thiol state: all disulfide bound), 131 monomers, 14008.72 × 2 Da Detail

MANKPMQPIT STANKIVWSD PTRLSTTFSA SLLRQRVKVG IAELNNVSGQ YVSVYKRPAP KPEGCADACV IMPNENQSIR TVISGSAENL ATLKAEWETH KRNVDTLFAS GNAGLGFLDP TAAIVSSDTT A

Total weight

28017.44 Da

Max. entity weight

14008.72 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS65:SG	1:CYS69:SG

Source organism

Acinetobacter phage AP205

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.3 %, Completeness: 65.6 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.6 % (953 of 1452)	61.0 % (456 of 748)	69.6 % (394 of 566)	74.6 % (103 of 138)
Backbone	82.5 % (635 of 770)	82.0 % (214 of 261)	82.6 % (319 of 386)	82.9 % (102 of 123)
Sidechain	51.5 % (415 of 806)	49.7 % (242 of 487)	56.6 % (172 of 304)	6.7 % (1 of 15)
Aromatic	5.4 % (4 of 74)	8.1 % (3 of 37)	0.0 % (0 of 35)	50.0 % (1 of 2)
Methyl	59.5 % (94 of 158)	62.0 % (49 of 79)	57.0 % (45 of 79)

1. Coat protein

MANKPMQPIT STANKIVWSD PTRLSTTFSA SLLRQRVKVG IAELNNVSGQ YVSVYKRPAP KPEGCADACV IMPNENQSIR TVISGSAENL ATLKAEWETH KRNVDTLFAS GNAGLGFLDP TAAIVSSDTT A

Show sample condition

Sample

Solvent system H2O, Pressure 1 atm, Temperature 283 (±5) K, pH 7.5, Details 500 mg/mL [U-100% 13C; U-100% 15N] AP205 coat protein, 15 % [U-2H] PEG, 5 mM HEPES, 50 mM sodium chloride, H2O

#	Name	Isotope labeling	Concentration
1	AP205 coat protein	[U-100% 13C; U-100% 15N]	500 (±200.0) mg/mL
2	HEPES	natural abundance	5 (±1.0) mM
3	PEG	[U-2H]	15 (±5.0) %
4	sodium chloride	natural abundance	50 (±5.0) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	direct	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	direct	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	direct	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	direct	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5JZR, Strand ID: A, B Detail

Release date

2016-08-07

Citation

Structure of fully protonated proteins by proton-detected magic-angle spinning NMR
Andreas, L.B., Jaudzems, K., Stanek, J., Lalli, D., Bertarello, A., Marchand, T.LE., Paepe, D.CD., Kotelovica, S., Akopjana, I., Knott, B., Wegner, S., Engelke, F., Lesage, A., Emsley, L., Tars, K., Herrmann, T., Pintacuda, G.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, 9187-9192, PubMed 27489348 , DOI 10.1073/pnas.1602248113 , Abstract