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BMRB: 7203

2HI3

Backbone and sidechain 1H, 15N, and 13C chemical shift assignments for HOP

Authors

Assembly

HOP

Entity

1. HOP (polymer, Thiol state: all free), 76 monomers, 8591.415 Da Detail

GSHMSAQTVS GPTEDQVEIL EYNFNKVNKH PDPTTLCLIA AEAGLTEEQT QKWFKQRLAE WRRSEGLPSE CRSVTD

Formula weight

8591.415 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 67.8 %, Completeness (bb): 77.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	67.8 % (592 of 873)	82.0 % (374 of 456)	45.1 % (151 of 335)	81.7 % (67 of 82)
Backbone	77.2 % (346 of 448)	89.5 % (136 of 152)	64.3 % (144 of 224)	91.7 % (66 of 72)
Sidechain	63.4 % (315 of 497)	78.3 % (238 of 304)	41.5 % (76 of 183)	10.0 % (1 of 10)
Aromatic	41.7 % (25 of 60)	80.0 % (24 of 30)	0.0 % (0 of 28)	50.0 % (1 of 2)
Methyl	56.9 % (41 of 72)	100.0 % (36 of 36)	13.9 % (5 of 36)

1. HOP

GSHMSAQTVS GPTEDQVEIL EYNFNKVNKH PDPTTLCLIA AEAGLTEEQT QKWFKQRLAE WRRSEGLPSE CRSVTD

Show sample condition

Sample

Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

LACS Plot; CA

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.08 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2HI3, Strand ID: A Detail

Release date

2006-10-18

Citation

Analysis of the structure and function of the transcriptional coregulator HOP
Kook, H., Yung, W.W., Simpson, R.J., Kee, H.J., Shin, S., Lowry, J.A., Loughlin, F.E., Yin, Z., Epstein, J.A., Mackay, J.P.
Biochemistry (2006), 45, 10584-10590, PubMed 16939210 , DOI 10.1021/bi060641s , Abstract

Related entities 1. HOP, : 1 : 4 : 26 entities Detail

Interaction partners 1. HOP, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

2 HN(CO)CA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

3 HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

4 HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

5 CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

6 HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

7 HCCH-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

8 15N-separated

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

9 NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

10 TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

11 DQF-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

12 HNHA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 6.7 (±0.1), Details 50 mM phosphate buffer, pH 7 0.5 mM TCEP

#	Name	Isotope labeling	Type	Concentration
1	HOP			1 (±0.2) mM
2	phosphate buffer			50 mM
3	TCEP			0.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7203_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: bmr7203_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	671		96.1 (chain: 1, length: 76)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 76, Sequence coverage: 96.1%
- Total number of assignments
  - ¹³C chemical shifts: 143
  - ¹H chemical shifts: 460
  - ¹⁵N chemical shifts: 68
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords homeodomain, HOP, NMR structure