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BMRB: 34523

6ZFV

Solution NMR structure of human GATA2 N-terminal zinc finger domain

Authors

Nurmohamed, S.S., Broadhurst, R.W., May, G., Enver, T.

Assembly

Endothelial transcription factor GATA-2

Entity

1. Endothelial transcription factor GATA-2, entity 1 (polymer, Thiol state: all other bound), 63 monomers, 7045.903 Da Detail

MAHHHHHHSS GLEVLFQGPE GRECVNCGAT ATPLWRRDGT GHYLCNACGL YHKMNGQNRP LIK

2. Endothelial transcription factor GATA-2, entity ZN (non-polymer), 65.409 Da

Total weight

7111.312 Da

Max. entity weight

7045.903 Da

Entity Connection

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS24:SG	2:ZN1:ZN
2	na	sing	1:CYS27:SG	2:ZN1:ZN
3	na	sing	1:CYS45:SG	2:ZN1:ZN
4	na	sing	1:CYS48:SG	2:ZN1:ZN

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.3 %, Completeness: 60.8 %, Completeness (bb): 64.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	60.8 % (432 of 710)	67.6 % (248 of 367)	48.2 % (131 of 272)	74.6 % (53 of 71)
Backbone	64.8 % (241 of 372)	83.2 % (109 of 131)	47.0 % (85 of 181)	78.3 % (47 of 60)
Sidechain	58.5 % (230 of 393)	58.9 % (139 of 236)	58.2 % (85 of 146)	54.5 % (6 of 11)
Aromatic	54.3 % (38 of 70)	54.3 % (19 of 35)	52.9 % (18 of 34)	100.0 % (1 of 1)
Methyl	80.0 % (40 of 50)	84.0 % (21 of 25)	76.0 % (19 of 25)

1. entity 1

MAHHHHHHSS GLEVLFQGPE GRECVNCGAT ATPLWRRDGT GHYLCNACGL YHKMNGQNRP LIK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

Release date

2020-07-13

Citation

Solution NMR structure of human GATA2 C-terminal zinc finger domain
Nurmohamed, S.S., Broadhurst, R.W., May, G., Enver, T.

Related entities 1. Endothelial transcription factor GATA-2, entity 1, : 1 : 28 entities Detail

Experiments performed 10 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker DRX800 - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

2 3D 1H-13C NOESY

Instrument

Bruker DRX800 - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

3 3D HNCA

Instrument

Bruker DRX500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

4 3D HNCACB

Instrument

Bruker DRX500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

5 3D CBCA(CO)NH

Instrument

Bruker DRX500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

6 3D HNCO

Instrument

Bruker DRX500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

7 3D 1H-15N TOCSY

Instrument

Bruker DRX500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

8 3D HBHA(CO)NH

Instrument

Bruker DRX500 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

9 2D 1H-13C HSQC

Instrument

Bruker DRX800 - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

10 2D 1H-15N HSQC

Instrument

Bruker DRX800 - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.8, Details 10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	GATA2 zinc finger 1	[U-99% 13C; U-99% 15N]		10.0 mg/mL

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34523_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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:24:CYS:SG	2:1:ZN:ZN	reduced, CB 30.986 ppm	unknown	n/a
1:27:CYS:SG	2:1:ZN:ZN	oxidized 74.3%, reduced 25.7%, CA 58.862, CB 34.274 ppm	unknown	n/a
1:45:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:48:CYS:SG	2:1:ZN:ZN	reduced, CA 64.372, CB 29.937 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr34523_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	474		87.3 (chain: 1, length: 63)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 63, Sequence coverage: 87.3%
- Total number of assignments
  - ¹H chemical shifts: 290
  - ¹³C chemical shifts: 131
  - ¹⁵N chemical shifts: 53
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Keywords GATA, Haematopoeisis, Transcription factor, transcription