BMRBj - BMREntryMaster

Found 1 Document (0.676 seconds)

BMRB: 19007

2M4I

Solution structure of Bacillus subtilis MinC N-terminal domain

Authors

Castellen, P., Sforca, M.L., Zeri, A.C. M., Gueiros-Filho, F.J.

Assembly

MinC N-terminal monomer

Entity

1. MinC N-terminal monomer (polymer, Thiol state: all free), 105 monomers, 12009.49 Da Detail

GSHMKTKKQQ YVTIKGTKNG LTLHLDDACS FDELLDGLQN MLSIEQYTDG KGQKISVHVK LGNRFLYKEQ EEQLTELIAS KKDLFVHSID SEVITKKEAQ QIREE

Formula weight

12009.49 Da

Source organism

Bacillus subtilis

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing, torsion angle dynamics, refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.4 %, Completeness: 79.3 %, Completeness (bb): 90.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.3 % (1002 of 1263)	74.8 % (496 of 663)	83.0 % (401 of 483)	89.7 % (105 of 117)
Backbone	90.3 % (569 of 630)	88.9 % (193 of 217)	91.6 % (282 of 308)	89.5 % (94 of 105)
Sidechain	71.7 % (524 of 731)	67.9 % (303 of 446)	76.9 % (210 of 273)	91.7 % (11 of 12)
Aromatic	41.4 % (29 of 70)	45.7 % (16 of 35)	37.1 % (13 of 35)
Methyl	77.6 % (90 of 116)	86.2 % (50 of 58)	69.0 % (40 of 58)

1. N MinC

GSHMKTKKQQ YVTIKGTKNG LTLHLDDACS FDELLDGLQN MLSIEQYTDG KGQKISVHVK LGNRFLYKEQ EEQLTELIAS KKDLFVHSID SEVITKKEAQ QIREE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	N_MinC	[U-99% 13C; U-99% 15N]		0.45 mM
2	sodium phosphate	natural abundance		50 mM
3	potassium chloride	natural abundance		50 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-100% 15N]		0.45 mM
7	sodium phosphate	natural abundance		50 mM
8	potassium chloride	natural abundance		50 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
11	protein	[U-99% 13C; U-99% 15N]		0.45 mM
12	sodium phosphate	natural abundance		50 mM
13	potassium chloride	natural abundance		50 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.17 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.17 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.21 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M4I, Strand ID: A Detail

Release date

2014-03-02

Citation

Backbone and side chain NMR assignments for the N-terminal domain of the cell division regulator MinC from Bacillus subtilis
Castellen, P., Sforca, M.L., Gueiros-Filho, F.J., de Mattos Zeri, A.
Biomol. NMR Assign. (2015), 9, 1-5, PubMed 24366721 , DOI 10.1007/s12104-013-9534-y , Abstract

Related entities 1. MinC N-terminal monomer, : 1 : 1 : 21 entities Detail

Interaction partners 1. MinC N-terminal monomer, : 3 interactors Detail

More details for 3 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-100% 15N]		0.45 mM
7	sodium phosphate	natural abundance		50 mM
8	potassium chloride	natural abundance		50 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
11	protein	[U-99% 13C; U-99% 15N]		0.45 mM
12	sodium phosphate	natural abundance		50 mM
13	potassium chloride	natural abundance		50 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

3 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
11	protein	[U-99% 13C; U-99% 15N]		0.45 mM
12	sodium phosphate	natural abundance		50 mM
13	potassium chloride	natural abundance		50 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

4 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
11	protein	[U-99% 13C; U-99% 15N]		0.45 mM
12	sodium phosphate	natural abundance		50 mM
13	potassium chloride	natural abundance		50 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	N_MinC	[U-99% 13C; U-99% 15N]		0.45 mM
2	sodium phosphate	natural abundance		50 mM
3	potassium chloride	natural abundance		50 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

6 3D HNCO

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	N_MinC	[U-99% 13C; U-99% 15N]		0.45 mM
2	sodium phosphate	natural abundance		50 mM
3	potassium chloride	natural abundance		50 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

7 3D HNCA

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	N_MinC	[U-99% 13C; U-99% 15N]		0.45 mM
2	sodium phosphate	natural abundance		50 mM
3	potassium chloride	natural abundance		50 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

8 3D HNCACB

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	N_MinC	[U-99% 13C; U-99% 15N]		0.45 mM
2	sodium phosphate	natural abundance		50 mM
3	potassium chloride	natural abundance		50 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

9 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
11	protein	[U-99% 13C; U-99% 15N]		0.45 mM
12	sodium phosphate	natural abundance		50 mM
13	potassium chloride	natural abundance		50 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-100% 15N]		0.45 mM
7	sodium phosphate	natural abundance		50 mM
8	potassium chloride	natural abundance		50 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

11 3D CCH-TOCSY

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
11	protein	[U-99% 13C; U-99% 15N]		0.45 mM
12	sodium phosphate	natural abundance		50 mM
13	potassium chloride	natural abundance		50 mM
14	H2O	natural abundance		90 %
15	D2O	natural abundance		10 %

12 T1 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-100% 15N]		0.45 mM
7	sodium phosphate	natural abundance		50 mM
8	potassium chloride	natural abundance		50 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

13 T2 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-100% 15N]		0.45 mM
7	sodium phosphate	natural abundance		50 mM
8	potassium chloride	natural abundance		50 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

14 NOE 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz 5mm cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-100% 15N]		0.45 mM
7	sodium phosphate	natural abundance		50 mM
8	potassium chloride	natural abundance		50 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19007_2m4i.nef
Input source #2: Coordindates	2m4i.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--------70--------80--------90-------100
GSHMKTKKQQYVTIKGTKNGLTLHLDDACSFDELLDGLQNMLSIEQYTDGKGQKISVHVKLGNRFLYKEQEEQLTELIASKKDLFVHSIDSEVITKKEAQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMKTKKQQYVTIKGTKNGLTLHLDDACSFDELLDGLQNMLSIEQYTDGKGQKISVHVKLGNRFLYKEQEEQLTELIASKKDLFVHSIDSEVITKKEAQ

-----
QIREE
|||||
QIREE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	105	0	0	100.0

Content subtype: combined_19007_2m4i.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	981		92.4 (chain: A, length: 105)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	2020 (1)	noe	92.4 (chain: A, length: 105)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 92.4%
- Total number of assignments
  - ¹H chemical shifts: 480
  - ¹³C chemical shifts: 396
  - ¹⁵N chemical shifts: 105
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Tautomeric state of HIS
- 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: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 92.4%
- Total number of restraints: 2020
- Weight of restraints: 1.0 (2020)
- Potential type of restraints: upper-bound-parabolic (2020)
- Range of distance target values: 2.24, 5.3 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords Bacillus subtilis, FtsZ inhibitor, MinC