BMRBj - BMREntryMaster

	Total	¹H
All	96.5 % (273 of 283)	96.5 % (273 of 283)
Backbone	97.6 % (83 of 85)	97.6 % (83 of 85)
Sidechain	96.0 % (190 of 198)	96.0 % (190 of 198)
Aromatic	93.3 % (14 of 15)	93.3 % (14 of 15)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. entity 1

VMKKRTYCTY CPSKIRRKAN ASCKKCKKVI CREHNIDMCQ SCF

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5 (±0.05), Details 500 uM C-ter piggyBac, 1500 uM ZnCl2, 5 mM DTT, 200 mM sodium chloride, 10 % 100% labelling D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	C-ter piggyBac	natural abundance	500 uM
2	D2O	100% labelling	10 %
3	DTT	natural abundance	5 mM
4	ZnCl2	natural abundance	1500 uM
5	sodium chloride	natural abundance	200 mM

Protein Blocks Logo

Calculated from 24 models in PDB: 5LME, Strand ID: A Detail

Release date

2017-06-18

Citation

Sequence-specific DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase
Morellet, N., Li, X., Wieninger, S.A., Taylor, J.L., Bischerour, J., Moriau, S., Lescop, E., Bardiaux, B., Mathy, N., Assrir, N., Betermier, M., Nilges, M., Hickman, A.B., Dyda, F., Craig, N.L., Guittet, E.
Nucleic Acids Res. (2018), 46, 2660-2677, PubMed 29385532 , DOI 10.1093/nar/gky044 , Abstract

Related entities 1. Putative uncharacterized protein, entity 1, : 1 : 23 entities Detail

Experiments performed 5 experiments Detail

1 2D TOCSY

Instrument

Bruker AvanceII - 950 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5 (±0.05), Details 500 uM C-ter piggyBac, 1500 uM ZnCl2, 5 mM DTT, 200 mM sodium chloride, 10 % 100% labelling D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	C-ter piggyBac	natural abundance	500 uM
2	D2O	100% labelling	10 %
3	DTT	natural abundance	5 mM
4	ZnCl2	natural abundance	1500 uM
5	sodium chloride	natural abundance	200 mM

2 2D NOESY

Instrument

Bruker AvanceII - 950 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-ter piggyBac	natural abundance	500 uM
2	D2O	100% labelling	10 %
3	DTT	natural abundance	5 mM
4	ZnCl2	natural abundance	1500 uM
5	sodium chloride	natural abundance	200 mM

3 2D DOSY

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.7, Details 500 uM C-ter piggyBac, 1500 uM ZnCl2, 5 mM DTT, 200 mM sodium chloride, 10 % 100% labelling D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	C-ter piggyBac	natural abundance	500 uM
2	D2O	100% labelling	10 %
3	DTT	natural abundance	5 mM
4	ZnCl2	natural abundance	1500 uM
5	sodium chloride	natural abundance	200 mM

4 2D HMQC

Instrument

Bruker AvanceII - 950 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-ter piggyBac	natural abundance	500 uM
2	D2O	100% labelling	10 %
3	DTT	natural abundance	5 mM
4	ZnCl2	natural abundance	1500 uM
5	sodium chloride	natural abundance	200 mM

5 2D HMQC

Instrument

Bruker AvanceII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-ter piggyBac	natural abundance	500 uM
2	D2O	100% labelling	10 %
3	DTT	natural abundance	5 mM
4	ZnCl2	natural abundance	1500 uM
5	sodium chloride	natural abundance	200 mM

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_34028_5lme.nef
Input source #2: Coordindates	5lme.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)
1:8:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:11:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:23:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:26:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:31:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:34:HIS:ND1	2:1:ZN:ZN	unknown	unknown	n/a
1:39:CYS:SG	2:2:ZN:ZN	unknown	unknown	n/a
1:42:CYS:SG	2:2: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
B	2	ZN	ZINC ION	None

Sequence alignments

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

--------10--------20--------30--------40---
VMKKRTYCTYCPSKIRRKANASCKKCKKVICREHNIDMCQSCF
|||||||||||||||||||||||||||||||||||||||||||
VMKKRTYCTYCPSKIRRKANASCKKCKKVICREHNIDMCQSCF

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	43	0	0	100.0

Content subtype: combined_34028_5lme.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	8		No information
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	273		100.0 (chain: A, length: 43)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1199 (1)	noe	93.0 (chain: A, length: 43)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 273
- Completeness of assignments
  - Entity_assemble_ID: A
- 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	283	273	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	85	83	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	198	190	96.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	15	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	14	93.3

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 93.0%
- Total number of restraints: 1199
- Weight of restraints: 1.0 (1199)
- Potential type of restraints: square-well-parabolic (1199)
- Range of distance target values: 1.59, 4.16 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map

Keywords transcription, transposase piggyBac DNA-binding zinc-finger

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Found 1 Document (0.568 seconds)

BMRB: 34028

Sample

Related entities 1. Putative uncharacterized protein, entity 1, : 1 : 23 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

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Sample

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Sample

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Sample

NMR combined restraints 3 contents Detail