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Found 1 Document (0.69 seconds)

BMRB: 18612

2LW7

NMR solution structure of human HisRS splice variant

Authors

Ye, F., Wei, Z., Wu, J., Schimmel, P., Zhang, M.

Assembly

HisRS

Entity

1. HisRS (polymer), 170 monomers, 19176.06 Da Detail

AERAALEELV KLQGERVRGL KQQKASAELI EEEVAKLLKL KAQLGPDESK QKFVLKTPKA LEEKIRTTET QVLVASAQKK LLEERLKLVS ELQDAGIKAE LLYKKNPKLL NQLQYCEEAG IPLVAIIGEQ ELKDGVIKLR SVTSREEVDV RREDLVEEIK RRTGQPLSIS

Formula weight

19176.06 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.4 %, Completeness: 78.1 %, Completeness (bb): 77.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.1 % (1606 of 2056)	82.7 % (901 of 1090)	70.3 % (553 of 787)	84.9 % (152 of 179)
Backbone	77.8 % (786 of 1010)	90.4 % (310 of 343)	64.7 % (325 of 502)	91.5 % (151 of 165)
Sidechain	79.6 % (962 of 1208)	79.1 % (591 of 747)	82.8 % (370 of 447)	7.1 % (1 of 14)
Aromatic	0.0 % (0 of 26)	0.0 % (0 of 13)	0.0 % (0 of 13)
Methyl	91.1 % (215 of 236)	91.5 % (108 of 118)	90.7 % (107 of 118)

1. HisRS

AERAALEELV KLQGERVRGL KQQKASAELI EEEVAKLLKL KAQLGPDESK QKFVLKTPKA LEEKIRTTET QVLVASAQKK LLEERLKLVS ELQDAGIKAE LLYKKNPKLL NQLQYCEEAG IPLVAIIGEQ ELKDGVIKLR SVTSREEVDV RREDLVEEIK RRTGQPLSIS

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-100% 13C; U-100% 15N]		0.8 mM
2	D2O	nautral abundance		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹⁵C	water	protons	4.72 ppm	internal	indirect	0.1
¹H	water	protons	4.72 ppm	internal	direct	1.0
¹³N	water	protons	4.72 ppm	internal	indirect	0.25

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹⁵C	water	protons	4.72 ppm	internal	indirect	0.1
¹H	water	protons	4.72 ppm	internal	direct	1.0
¹³N	water	protons	4.72 ppm	internal	indirect	0.25

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹⁵C	water	protons	4.72 ppm	internal	indirect	0.1
¹H	water	protons	4.72 ppm	internal	direct	1.0
¹³N	water	protons	4.72 ppm	internal	indirect	0.25

Referencing offset: -0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LW7, Strand ID: A Detail

Release date

2013-09-02

Citation

NMR solution structure of human HisRS splice variant
Ye, F., Wei, Z., Wu, J., Schimmel, P., Zhang, M.
Structure

Related entities 1. HisRS, : 1 entities Detail

Experiments performed 6 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18612_2lw7.nef
Input source #2: Coordindates	2lw7.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
AERAALEELVKLQGERVRGLKQQKASAELIEEEVAKLLKLKAQLGPDESKQKFVLKTPKALEEKIRTTETQVLVASAQKKLLEERLKLVSELQDAGIKAE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
AERAALEELVKLQGERVRGLKQQKASAELIEEEVAKLLKLKAQLGPDESKQKFVLKTPKALEEKIRTTETQVLVASAQKKLLEERLKLVSELQDAGIKAE

-------110-------120-------130-------140-------150-------160-------170
LLYKKNPKLLNQLQYCEEAGIPLVAIIGEQELKDGVIKLRSVTSREEVDVRREDLVEEIKRRTGQPLSIS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LLYKKNPKLLNQLQYCEEAGIPLVAIIGEQELKDGVIKLRSVTSREEVDVRREDLVEEIKRRTGQPLSIS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	170	0	0	100.0

Content subtype: combined_18612_2lw7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1522		91.2 (chain: A, length: 170)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	4399 (1)	noe	88.2 (chain: A, length: 170)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	148 (1)	hbond	57.6 (chain: A, length: 170)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 170, Sequence coverage: 91.2%
- Total number of assignments
  - ¹H chemical shifts: 872
  - ¹³C chemical shifts: 503
  - ¹⁵N chemical shifts: 147
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1090	871	79.9
¹³C chemical shifts	787	503	63.9
¹⁵N chemical shifts	190	147	77.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	343	304	88.6
¹³C chemical shifts	340	147	43.2
¹⁵N chemical shifts	165	147	89.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	747	567	75.9
¹³C chemical shifts	447	356	79.6
¹⁵N chemical shifts	25	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	118	105	89.0
¹³C chemical shifts	118	104	88.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	0	0.0
¹³C chemical shifts	13	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 170, Sequence coverage: 88.2%
- Total number of restraints: 4382
- Weight of restraints: 1.0 (4382)
- Potential type of restraints: square-well-parabolic (4382)
- Range of distance target values: 2.35, 6.3 (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
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 170, Sequence coverage: 57.6%
  - Total number of restraints: 148
  - Weight of restraints: 1.0 (148)
  - Potential type of restraints: square-well-parabolic (148)
  - Range of distance target values: 2.0, 2.75 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Keywords synthetase

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Found 1 Document (0.69 seconds)

BMRB: 18612

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HisRS, : 1 entities Detail

Experiments performed 6 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail