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Found 1 Document (0.965 seconds)

BMRB: 19331

2MA7

Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A

Authors

Pulavarti, S., Mills, J.L., Wang, D., Kohan, E., Hamilton, K., Xiao, R., Everett, J.K., Acton, T.B., Montelione, G., Szyperski, T.

Assembly

HR7992A

Entity

1. HR7992A (polymer, Thiol state: all free), 74 monomers, 8322.126 Da Detail

MGHHHHHHSH MPNGKLKCDV CGMVCIGPNV LMVHKRSHTG ERPFHCNQCG ASFTQKGNLL RHIKLHSGEK PFKX

2. ZINC ION (non-polymer), 65.409 Da

Total weight

8387.535 Da

Max. entity weight

8322.126 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing, null

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.5 %, Completeness: 83.7 %, Completeness (bb): 85.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.7 % (712 of 851)	83.9 % (376 of 448)	82.3 % (270 of 328)	88.0 % (66 of 75)
Backbone	85.8 % (369 of 430)	86.0 % (129 of 150)	85.3 % (180 of 211)	87.0 % (60 of 69)
Sidechain	82.1 % (399 of 486)	82.9 % (247 of 298)	80.2 % (146 of 182)	100.0 % (6 of 6)
Aromatic	52.6 % (41 of 78)	53.8 % (21 of 39)	51.3 % (20 of 39)
Methyl	100.0 % (50 of 50)	100.0 % (25 of 25)	100.0 % (25 of 25)

1. HR7992A

MGHHHHHHSH MPNGKLKCDV CGMVCIGPNV LMVHKRSHTG ERPFHCNQCG ASFTQKGNLL RHIKLHSGEK PFKX

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details HR7992A.011

#	Name	Isotope labeling	Concentration
8	HR7992A.011	[5% 13C; U-100% 15N]	1 mM
9	Tris-HCl pH 7.5	natural abundance	10 mM
10	NaCl	natural abundance	100 mM
11	NaN3	natural abundance	0.02 mM
12	DTT	natural abundance	5 mM
13	ZINC ION	natural abundance	4 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MA7, Strand ID: A Detail

Release date

2013-09-02

Related entities 1. HR7992A, : 1 : 1772 entities Detail

Interaction partners 1. HR7992A, : 7 interactors Detail

More details for 7 interactors identified by 5 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

6 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

7 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

8 2D 1H-13C(CT) Aliphatic (28 ms)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details HR7992A.011

#	Name	Isotope labeling	Concentration
8	HR7992A.011	[5% 13C; U-100% 15N]	1 mM
9	Tris-HCl pH 7.5	natural abundance	10 mM
10	NaCl	natural abundance	100 mM
11	NaN3	natural abundance	0.02 mM
12	DTT	natural abundance	5 mM
13	ZINC ION	natural abundance	4 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %

9 2D 1H-13C(CT) Aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

10 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

11 gft43d_hcch_cosy aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

12 gft43d_hcch_cosy aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

13 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

14 2D 1H-15N HSQC (His longrange)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

15 2D 1H-13C(CT)HSQC aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.0 mM HR7992A.010, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	HR7992A.010	[U-100% 13C; U-100% 15N]	1.0 mM
2	DTT	natural abundance	5 mM
3	NaCl	natural abundance	100 mM
4	Tris-HCl pH 7.5	natural abundance	10 mM
5	NaN3	natural abundance	0.02 %
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19331_2ma7.nef
Input source #2: Coordindates	2ma7.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	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)
1:66:HIS:NE2	2:1:ZN:ZN	unknown	unknown	n/a
1:48:GLN:O	2:1:ZN:ZN	unknown	unknown	n/a
1:49:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:62:HIS:NE2	2:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	ZN	ZINC ION	None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70---
MGHHHHHHSHMPNGKLKCDVCGMVCIGPNVLMVHKRSHTGERPFHCNQCGASFTQKGNLLRHIKLHSGEKPFK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHSHMPNGKLKCDVCGMVCIGPNVLMVHKRSHTGERPFHCNQCGASFTQKGNLLRHIKLHSGEKPFK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	73	0	0	100.0

Content subtype: combined_19331_2ma7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	4		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	716		84.9 (chain: A, length: 73)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	522 (1)	noe	75.3 (chain: A, length: 73)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	46 (46)	.	45.2 (chain: A, length: 73)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 73, Sequence coverage: 84.9%
- Total number of assignments
  - ¹H chemical shifts: 375
  - ¹³C chemical shifts: 265
  - ¹⁵N chemical shifts: 76
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
25	CYS	HG	2.245
34	HIS	ND1	170.425
34	HIS	NE2	210.412
38	HIS	NE2	213.967
45	HIS	ND1	173.162
61	ARG	NH1	84.729
62	HIS	ND1	172.92
62	HIS	NE2	216.641
66	HIS	ND1	170.425
66	HIS	NE2	211.644

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	448	374	83.5
¹³C chemical shifts	328	265	80.8
¹⁵N chemical shifts	78	67	85.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	150	127	84.7
¹³C chemical shifts	146	120	82.2
¹⁵N chemical shifts	69	58	84.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	298	247	82.9
¹³C chemical shifts	182	145	79.7
¹⁵N chemical shifts	9	9	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	25	86.2
¹³C chemical shifts	29	25	86.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	21	53.8
¹³C chemical shifts	39	20	51.3

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 73, Sequence coverage: 75.3%
- Total number of restraints: 519
- Weight of restraints: 1.0 (519)
- Potential type of restraints: square-well-parabolic (519)
- Range of distance target values: 1.66, 3.15 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 73, Sequence coverage: 45.2%
- Total number of restraints: 46
- Total number of restraints per polymer type: 46
- Weight of restraints: 1.0 (46)
- Potential type of restraints: square-well-parabolic (46)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-Biology, Structural Genomics, Target HR7992A

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Found 1 Document (0.965 seconds)

BMRB: 19331

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HR7992A, : 1 : 1772 entities Detail

Interaction partners 1. HR7992A, : 7 interactors Detail

Experiments performed 15 experiments Detail

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NMR combined restraints 4 contents Detail