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BMRB: 36299

6LAG

Solution structure of SPA-2 SHD

Authors

Fan, J.S., Wong, J.Y., Zheng, P., Yang, D., Jedd, G.

Assembly

Spa2-like protein

Entity

1. Spa2-like protein (polymer, Thiol state: all free), 155 monomers, 17750.68 Da Detail

MGSSHHHHHH SSGLVPRGSH MGENQELVLS DHYISLKRYL SATSRDGNPK PPPNKARDKL QRLTEVQFLE LSTDVYDELK RREQVARRGP NAPPETAPPD FLLPQDNFHP KRNQARQKLS SLGPPRFRDL ATDVFCELER RYPNFANLEM PLNAS

Formula weight

17750.68 Da

Source organism

Neurospora crassa

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 88.4 %, Completeness: 72.2 %, Completeness (bb): 76.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.2 % (1320 of 1828)	71.8 % (697 of 971)	69.5 % (488 of 702)	87.1 % (135 of 155)
Backbone	76.1 % (683 of 898)	83.7 % (252 of 301)	67.9 % (311 of 458)	86.3 % (120 of 139)
Sidechain	71.0 % (765 of 1078)	66.4 % (445 of 670)	77.8 % (305 of 392)	93.8 % (15 of 16)
Aromatic	39.1 % (50 of 128)	39.1 % (25 of 64)	39.1 % (25 of 64)
Methyl	93.8 % (120 of 128)	93.8 % (60 of 64)	93.8 % (60 of 64)

1. entity 1

MGSSHHHHHH SSGLVPRGSH MGENQELVLS DHYISLKRYL SATSRDGNPK PPPNKARDKL QRLTEVQFLE LSTDVYDELK RREQVARRGP NAPPETAPPD FLLPQDNFHP KRNQARQKLS SLGPPRFRDL ATDVFCELER RYPNFANLEM PLNAS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 6.5 (±0.05), Details 2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SHD	[U-13C; U-15N]	protein	2 (±0.1) mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	disodium hydrogen phosphate	natural abundance	buffer	10 (±0.1) mM
5	sodium dihydrogen phospahte	natural abundance	buffer	10 (±0.1) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6LAG, Strand ID: A Detail

Release date

2020-04-14

Citation

Spitzenkörper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds
Fan, J.S., Wong, J.Y., Zheng, P., Yang, D., Jedd, G.
Nat. Commun. (2020), 11, 2830-2830, PubMed 32503980 , DOI 10.1038/s41467-020-16712-9 , Abstract

Related entities 1. Spa2-like protein, : 1 : 3 entities Detail

Experiments performed 5 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 6.5 (±0.05), Details 2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SHD	[U-13C; U-15N]	protein	2 (±0.1) mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	disodium hydrogen phosphate	natural abundance	buffer	10 (±0.1) mM
5	sodium dihydrogen phospahte	natural abundance	buffer	10 (±0.1) mM

2 3D HNCA

Instrument

Bruker AVANCE - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 6.5 (±0.05), Details 2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SHD	[U-13C; U-15N]	protein	2 (±0.1) mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	disodium hydrogen phosphate	natural abundance	buffer	10 (±0.1) mM
5	sodium dihydrogen phospahte	natural abundance	buffer	10 (±0.1) mM

3 3D HN(CO)CA

Instrument

Bruker AVANCE - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 6.5 (±0.05), Details 2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SHD	[U-13C; U-15N]	protein	2 (±0.1) mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	disodium hydrogen phosphate	natural abundance	buffer	10 (±0.1) mM
5	sodium dihydrogen phospahte	natural abundance	buffer	10 (±0.1) mM

4 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 6.5 (±0.05), Details 2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SHD	[U-13C; U-15N]	protein	2 (±0.1) mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	disodium hydrogen phosphate	natural abundance	buffer	10 (±0.1) mM
5	sodium dihydrogen phospahte	natural abundance	buffer	10 (±0.1) mM

5 4D NOESY

Instrument

Bruker AVANCE - 800 MHz with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.1) K, pH 6.5 (±0.05), Details 2 mM [U-13C; U-15N] SHD, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SHD	[U-13C; U-15N]	protein	2 (±0.1) mM
2	D2O	[U-2H]	solvent	10 %
3	H2O	natural abundance	solvent	90 %
4	disodium hydrogen phosphate	natural abundance	buffer	10 (±0.1) mM
5	sodium dihydrogen phospahte	natural abundance	buffer	10 (±0.1) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr36299_3.str
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

Content subtype: bmr36299_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1371		84.5 (chain: 1, length: 155)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 155, Sequence coverage: 84.5%
- Total number of assignments
  - ¹H chemical shifts: 779
  - ¹³C chemical shifts: 458
  - ¹⁵N chemical shifts: 134
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Keywords GIT-PIX, SHD, SIGNALING PROTEIN, SPA-2, polarity