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BMRB: 18734

2LZ0

NMR structure of the hypothetical protein ZP_02034617.1 from Bacteroides capillosus ATCC 29799

Authors

Dutta, S.K., Serrano, P., Geralt, M., Wuthrich, K., Dutta, S.

Assembly

ZP 02034617.1

Entity

1. ZP 02034617.1 (polymer, Thiol state: all free), 100 monomers, 11079.30 Da Detail

GSHEGEPVVG MDKSLFAGNT VIREITVQPN IGLLYDGMFS GCTALEKLIL TGEDPSAYSA GDGLRDGADF LICVPEEALD RYRRDYFWQT YAAWIQPMEQ

Formula weight

11079.3 Da

Source organism

Pseudoflavonifractor capillosus ATCC 29799

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 87.2 %, Completeness (bb): 81.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (985 of 1130)	96.4 % (561 of 582)	72.8 % (324 of 445)	97.1 % (100 of 103)
Backbone	81.2 % (479 of 590)	97.1 % (200 of 206)	64.7 % (187 of 289)	96.8 % (92 of 95)
Sidechain	94.6 % (595 of 629)	96.0 % (361 of 376)	92.2 % (226 of 245)	100.0 % (8 of 8)
Aromatic	74.1 % (80 of 108)	83.3 % (45 of 54)	63.5 % (33 of 52)	100.0 % (2 of 2)
Methyl	100.0 % (106 of 106)	100.0 % (53 of 53)	100.0 % (53 of 53)

1. ZP 02034617.1

GSHEGEPVVG MDKSLFAGNT VIREITVQPN IGLLYDGMFS GCTALEKLIL TGEDPSAYSA GDGLRDGADF LICVPEEALD RYRRDYFWQT YAAWIQPMEQ

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

LACS Plot; CA

Referencing offset: 2.37 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 2.37 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.1 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LZ0, Strand ID: A Detail

Release date

2012-10-24

Citation

NMR structure of the hypothetical protein ZP_02034617.1 from Bacteroides capillosus ATCC 29799
Dutta, S.K., Serrano, P., Geralt, M., Wuthrich, K.
Not known

Related entities 1. ZP 02034617.1, : 1 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

2 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

3 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

4 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

5 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

6 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

7 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	ZP_02034617.1	[U-99% 13C; U-99% 15N]		1.2 mM
2	potassium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18734_2lz0.nef
Input source #2: Coordindates	2lz0.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
GSHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	100	0	0	100.0

Content subtype: combined_18734_2lz0.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	976		99.0 (chain: A, length: 100)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	1903 (1)	noe	98.0 (chain: A, length: 100)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 99.0%
- Total number of assignments
  - ¹H chemical shifts: 561
  - ¹³C chemical shifts: 315
  - ¹⁵N chemical shifts: 100
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 98.0%
- Total number of restraints: 1898
- Weight of restraints: 1.0 (1898)
- Potential type of restraints: upper-bound-parabolic (1898)
- Range of distance target values: 2.5, 5.5 (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 Hypothetical Leucine Rich Repeat Protein