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BMRB: 19084

2MMH

The Mengovirus Leader protein

Authors

Cornilescu, C.C., Porter, F.W., Zao, K., Davis, V., Palmenberg, A.C., Markley, J.L.

Assembly

mengovirus

Entity

1. mengovirus (polymer, Thiol state: all other bound), 71 monomers, 8258.010 Da Detail

GSTAMATTME QEICAHSMTF EECPKCSALQ YRNGFYLLKY DEEWYPEELL TDGEDDVFDP DLDMEVVFET Q

Formula weight

8258.01 Da

Source organism

Encephalomyocarditis virus

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 68.3 %, Completeness (bb): 91.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.3 % (556 of 814)	56.6 % (237 of 419)	78.6 % (253 of 322)	90.4 % (66 of 73)
Backbone	91.4 % (384 of 420)	88.7 % (126 of 142)	93.3 % (196 of 210)	91.2 % (62 of 68)
Sidechain	51.5 % (238 of 462)	40.1 % (111 of 277)	68.3 % (123 of 180)	80.0 % (4 of 5)
Aromatic	0.0 % (0 of 88)	0.0 % (0 of 44)	0.0 % (0 of 43)	0.0 % (0 of 1)
Methyl	56.7 % (34 of 60)	23.3 % (7 of 30)	90.0 % (27 of 30)

1. full length mengoL

GSTAMATTME QEICAHSMTF EECPKCSALQ YRNGFYLLKY DEEWYPEELL TDGEDDVFDP DLDMEVVFET Q

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.09 ppm, Outliers: 3 Detail

LACS Plot; CO

Referencing offset: 0.37 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2013-04-16

Citation

Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase
Bacot-Davis, V.R., Ciomperlik, J.J., Basta, H.A., Cornilescu, C.C., Palmenberg, A.C.
Proc. Natl. Acad. Sci. U. S. A. (2014), 111, 15792-15797, PubMed 25331866 , DOI 10.1073/pnas.1411098111 , Abstract

Related entities 1. mengovirus, : 1 : 2 : 3 : 5 entities Detail

Interaction partners 1. mengovirus, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

6 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

7 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

8 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

9 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

10 2D-(HB)CB(CGCDCE)HE

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

11 2D-(HB)CB(CGCD)HD

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

12 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

13 3D 1H-13C NOESY

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	full length mengoL	[U-13C; U-15N]		0.7 ~ 1.0 (±0.1) mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints	combined_19084_2mmh.nef
Input source #2: Coordindates	2mmh.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:14:CYS:SG	A:23:CYS:SG	reduced, CA 58.07, CB 32.97 ppm	reduced, CA 57.12, CB 31.44 ppm	2.975

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	ZN	ZINC ION	None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70-
GSTAMATTMEQEICAHSMTFEECPKCSALQYRNGFYLLKYDEEWYPEELLTDGEDDVFDPDLDMEVVFETQ
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSTAMATTMEQEICAHSMTFEECPKCSALQYRNGFYLLKYDEEWYPEELLTDGEDDVFDPDLDMEVVFETQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	71	0	0	100.0

Content subtype: combined_19084_2mmh.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	1		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	539		95.8 (chain: A, length: 71)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	59 (59)	.	66.2 (chain: A, length: 71)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 95.8%
- Total number of assignments
  - ¹H chemical shifts: 223
  - ¹³C chemical shifts: 251
  - ¹⁵N chemical shifts: 65
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Covalent bonds

Saveframe: assembly
- Status: OK

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 66.2%
- Total number of restraints: 59
- Total number of restraints per polymer type: 59
- Weight of restraints: 1.0 (59)
- Potential type of restraints: square-well-parabolic (59)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords cardiovirus, leader protein, mengovirus, NMR