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BMRB: 34693

Solution structure of the complex between plasmodial ZNHIT3 and NUFIP1 proteins

Authors

Chagot, M.E., Quinternet, M.

Assembly

Zinc finger protein, putative, NUFIP1 domain-containing protein

Entity

1. Zinc finger protein, putative, NUFIP1 domain-containing protein, entity 1 (polymer, Thiol state: not present), 72 monomers, 8564.727 Da Detail

GPHMDYDMLT EEQKKKLKED HTLKILLKNN YVREVFKQFT LSNDKIGYLS HYINDPTIVQ VIDHIMKTID DT

2. Zinc finger protein, putative, NUFIP1 domain-containing protein, entity 2 (polymer, Thiol state: not present), 25 monomers, 3102.488 Da Detail

DIYTYEKKLI KSIEYITKNK FFDDS

Total weight

11667.215 Da

Max. entity weight

8564.727 Da

Source organism

Plasmodium falciparum 3D7

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.7 %, Completeness (bb): 99.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.7 % (1185 of 1226)	97.0 % (622 of 641)	95.8 % (461 of 481)	98.1 % (102 of 104)
Backbone	99.1 % (573 of 578)	99.0 % (192 of 194)	99.7 % (288 of 289)	97.9 % (93 of 95)
Sidechain	95.2 % (707 of 743)	96.2 % (430 of 447)	93.4 % (268 of 287)	100.0 % (9 of 9)
Aromatic	75.9 % (85 of 112)	80.4 % (45 of 56)	71.4 % (40 of 56)
Methyl	100.0 % (108 of 108)	100.0 % (54 of 54)	100.0 % (54 of 54)

1. entity 1

GPHMDYDMLT EEQKKKLKED HTLKILLKNN YVREVFKQFT LSNDKIGYLS HYINDPTIVQ VIDHIMKTID DT

2. entity 2

DIYTYEKKLI KSIEYITKNK FFDDS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

Release date

2021-12-01

Citation

Structural Analysis of the Plasmodial Proteins ZNHIT3 and NUFIP1 Provides Insights into the Selectivity of a Conserved Interaction
Chagot, M.E., Boutilliat, A., Kriznik, A., Quinternet, M.
Biochemistry (2022), 61, 479-493, PubMed 35315277 , DOI 10.1021/acs.biochem.1c00792 , Abstract

Related entities 1. Zinc finger protein, putative, NUFIP1 domain-containing protein, entity 1, : 1 : 14 entities Detail

Related entities 2. Zinc finger protein, putative, NUFIP1 domain-containing protein, entity 2, : 1 entities Detail

Experiments performed 19 experiments Detail

1 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

2 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

3 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

4 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

5 3D HNCACO

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

6 3D H(CCO)NH

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

7 3D C(CO)NH

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

8 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

10 3D HCCH-COSY

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

11 3D HNHA

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

12 3D HNCO ECosy

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

13 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

14 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

15 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

16 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

17 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

18 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

19 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 0.7 mM [U-100% 13C; U-100% 15N] pfZNHIT3, 0.7 mM [U-100% 13C; U-100% 15N] pfNUFIP1, 150 mM sodium chloride, 10 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	pfZNHIT3	[U-100% 13C; U-100% 15N]		0.7 mM
2	pfNUFIP1	[U-100% 13C; U-100% 15N]		0.7 mM
3	sodium chloride	natural abundance		150 mM
4	sodium phosphate	natural abundance		10 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34693_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: bmr34693_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1310		100.0 (chain: 2, length: 25), 100.0 (chain: 1, length: 72)
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: 2, Chain length: 25, Sequence coverage: 100.0%
  - Entity_assembly_ID: 1, Chain length: 72, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 739
  - ¹³C chemical shifts: 469
  - ¹⁵N chemical shifts: 102
- Completeness of assignments
  - Entity_assemble_ID: 2
  - Entity_assemble_ID: 1
- 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: 2
  - Chain_ID: 1

Keywords JAW HELICES, PAC-HIT FOLD, SIGNALING PROTEIN