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BMRB: 15415

2JTM

Solution structure of Sso6901 from Sulfolobus solfataricus P2

Authors

Feng, Y., Guo, L., Huang, L., Wang, J.

Assembly

monomer

Entity

1. monomer (polymer, Thiol state: not present), 60 monomers, 6662.792 Da Detail

MSSGKKPVKV KTPAGKEAEL VPEKVWALAP KGRKGVKIGL FKDPETGKYF RHKLPDDYPI

Formula weight

6662.792 Da

Source organism

Saccharolobus solfataricus

Exptl. method

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 96.2 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.2 % (708 of 736)	96.2 % (378 of 393)	96.5 % (279 of 289)	94.4 % (51 of 54)
Backbone	96.0 % (332 of 346)	95.8 % (114 of 119)	96.6 % (168 of 174)	94.3 % (50 of 53)
Sidechain	96.4 % (428 of 444)	96.4 % (264 of 274)	96.4 % (163 of 169)	100.0 % (1 of 1)
Aromatic	96.2 % (50 of 52)	96.2 % (25 of 26)	96.0 % (24 of 25)	100.0 % (1 of 1)
Methyl	98.2 % (55 of 56)	100.0 % (28 of 28)	96.4 % (27 of 28)

1. Cren7

MSSGKKPVKV KTPAGKEAEL VPEKVWALAP KGRKGVKIGL FKDPETGKYF RHKLPDDYPI

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1.0 ~ 2.0 mM
2	DSS	natural abundance		0.01 %
3	potassium phosphate	natural abundance		50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

LACS Plot; CA

Referencing offset: -0.24 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.24 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JTM, Strand ID: A Detail

Release date

2008-10-28

Citation

Biochemical and structural characterization of Cren7, a novel chromatin protein conserved among Crenarchaea
Guo, L., Feng, Y., Zhang, Z., Yao, H., Luo, Y., Wang, J., Huang, L.
Nucleic Acids Res. (2008), 36, 1129-1137, PubMed 18096617 , DOI 10.1093/nar/gkm1128 , Abstract

Entries sharing articles Swiss-Prot: 2 entries Detail

  Swiss-Prot: P0C835 released on 2008-07-22
    Title CREN7_SULSH Entity Chromatin protein Cren7
  Swiss-Prot: Q97ZE3 released on 2008-07-22
    Title CREN7_SULSO Entity Chromatin protein Cren7

Related entities 1. monomer, : 1 : 6 : 2 : 4 : 15 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-1H TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1.0 ~ 2.0 mM
2	DSS	natural abundance		0.01 %
3	potassium phosphate	natural abundance		50 mM

2 2D DQF-COSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1.0 ~ 2.0 mM
2	DSS	natural abundance		0.01 %
3	potassium phosphate	natural abundance		50 mM

3 2D 1H-1H NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1.0 ~ 2.0 mM
2	DSS	natural abundance		0.01 %
3	potassium phosphate	natural abundance		50 mM

4 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

5 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

6 3D CBCA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

7 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

8 3D HBHA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

9 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

10 3D HN(CA)CO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

11 3D 1H-15N TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

12 3D HCCH-COSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

13 3D CCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

14 3D 1H-15N NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

15 3D 1H-13C NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
4	entity	[U-13C; U-15N]		1.0 ~ 2.0 mM
5	DSS	natural abundance		0.01 %
6	potassium phosphate	natural abundance		50 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15415_2jtm.nef
Input source #2: Coordindates	2jtm.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

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

--------10--------20--------30--------40--------50--------60
MSSGKKPVKVKTPAGKEAELVPEKVWALAPKGRKGVKIGLFKDPETGKYFRHKLPDDYPI
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSSGKKPVKVKTPAGKEAELVPEKVWALAPKGRKGVKIGLFKDPETGKYFRHKLPDDYPI

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	60	0	0	100.0

Content subtype: combined_15415_2jtm.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	708		96.7 (chain: A, length: 60)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1901 (1)	noe	95.0 (chain: A, length: 60)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	30 (1)	hbond	33.3 (chain: A, length: 60)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	72 (72)	.	83.3 (chain: A, length: 60)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 96.7%
- Total number of assignments
  - ¹H chemical shifts: 378
  - ¹³C chemical shifts: 279
  - ¹⁵N chemical shifts: 51
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 95.0%
- Total number of restraints: 1878
- Weight of restraints: 1.0 (1878)
- Potential type of restraints: square-well-parabolic (1878)
- Range of distance target values: 2.3, 3.9 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 33.3%
  - Total number of restraints: 30
  - Weight of restraints: 1.0 (30)
  - Potential type of restraints: square-well-parabolic (30)
  - Range of distance target values: 2.0, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 83.3%
- Total number of restraints: 72
- Total number of restraints per polymer type: 72
- Weight of restraints: 1.0 (72)
- Potential type of restraints: square-well-parabolic (72)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords SH3-like