BMRB Entry 16254

Name: NMR Structure of human alpha defensin HNP-1
Published: 2010-01-12

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PDB ID: 2kht
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16254
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR Structure of human alpha defensin HNP-1 PubMed: 19963419

Deposition date: 2009-04-11 Original release date: 2010-01-12

Authors: Zhang, Yuan; Li, Shenhui; Doherty, Timothy; Lubkowski, Jacek; Lu, Wuyuan; Li, Jing; Barinka, Cyril; Hong, Mei

Citation: Li, Shenhui; Zhang, Yuan; Hong, Mei. "3D (13)C-(13)C-(13)C correlation NMR for de novo distance determination of solid proteins and application to a human alpha-defensin." J. Magn. Reson. 202, 203-210 (2010).

Assembly members:
HNP-1, polymer, 30 residues, 3452.115 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
HNP-1: ACYCRIPACIAGERRYGTCI YQGRLWAFCC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	115
15N chemical shifts	30

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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1	ALA	CYS	TYR	CYS	ARG	ILE	PRO	ALA	CYS	ILE
2	ALA	GLY	GLU	ARG	ARG	TYR	GLY	THR	CYS	ILE
3	TYR	GLN	GLY	ARG	LEU	TRP	ALA	PHE	CYS	CYS

Name	Sample	Sample state	Sample conditions
2D 13C-13C DARR 40 ms, 100 ms & 200 ms	sample_1	solid	sample_conditions_1
2D 15N-15N PDSD 3 s	sample_1	solid	sample_conditions_1
2D CM5RR 0.8 ms & 1.5 ms	sample_1	solid	sample_conditions_2
2D CHHC 200 us & 300 us	sample_1	solid	sample_conditions_2
3D 15N-13C-13C NCACX	sample_1	solid	sample_conditions_1
3D 15N-13C-13C NCOCX	sample_1	solid	sample_conditions_1
2D 15N-13C NCX	sample_1	solid	sample_conditions_2

PDB	1DFN 2KHT 3GNY 3HJ2
DBJ	BAJ20578
EMBL	CAA31952 CAA36280
GB	AAA35753 AAA36382 AAA52302 AAA52303 AAA52304
PIR	B40499
PRF	1811319A 1912193A 2115200A
REF	NP_001035965 NP_001289194 NP_004075 NP_005208 XP_004046640
SP	P59665 P59666

Biological Magnetic Resonance Data Bank

BMRB Entry 16254

Title: NMR Structure of human alpha defensin HNP-1 PubMed: 19963419

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	ALA	CYS	TYR	CYS	ARG	ILE	PRO	ALA	CYS	ILE
2	ALA	GLY	GLU	ARG	ARG	TYR	GLY	THR	CYS	ILE
3	TYR	GLN	GLY	ARG	LEU	TRP	ALA	PHE	CYS	CYS

1	ALA	CYS	TYR	CYS	ARG	ILE	PRO	ALA	CYS	ILE
2	ALA	GLY	GLU	ARG	ARG	TYR	GLY	THR	CYS	ILE
3	TYR	GLN	GLY	ARG	LEU	TRP	ALA	PHE	CYS	CYS

1	ALA	CYS	TYR	CYS	ARG	ILE	PRO	ALA	CYS	ILE
2	ALA	GLY	GLU	ARG	ARG	TYR	GLY	THR	CYS	ILE
3	TYR	GLN	GLY	ARG	LEU	TRP	ALA	PHE	CYS	CYS