BMRB Entry 5688

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PDB ID: 1n5h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5688
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone 1H, 13C, and 15N Chemical Shifts Assignment for the all-trans conformer of the cathelin-like domain of the protegrin-3 precursor

Deposition date:

2003-02-07

Original release date:

2003-10-08

Authors:

Yang, Y.; Sanchez, J.; Strub, M.; Brutscher, B.; Aumelas, A.

Citation:

Citation: Yang, Y.; Sanchez, J.; Strub, M.; Brutscher, B.; Aumelas, A.. "NMR Structure of the Cathelin-like Domain of the Protegrin-3 Precursor" Biochemistry 42, 4669-4680 (2003).
PubMed: 12705830

Assembly members:

Assembly members:
cathelin-like domain, polymer, 105 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cathelin-like domain: GSHMQALSYREAVLRAVDRL NEQSSEANLYRLLELDQPPK ADEDPGTPKPVSFTVKETVC PRPTRQPPELCDFKENGRVK QCVGTVTLDQIKDPLDITCN EVQGV

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	2824
13C chemical shifts	780
15N chemical shifts	372

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Cathelin-like domain of protegrins	1

Entities:

Entity 1, Cathelin-like domain of protegrins 105 residues - Formula weight is not available

1

GLY

SER

HIS

MET

GLN

ALA

LEU

SER

TYR

ARG

2

GLU

ALA

VAL

LEU

ARG

ALA

VAL

ASP

ARG

LEU

3

ASN

GLU

GLN

SER

GLU

ALA

ASN

LEU

TYR

4

ARG

LEU

GLU

LEU

ASP

GLN

PRO

LYS

5

ALA

ASP

GLU

ASP

PRO

GLY

THR

PRO

LYS

PRO

6

VAL

SER

PHE

THR

VAL

LYS

GLU

THR

VAL

CYS

7

PRO

ARG

PRO

THR

ARG

GLN

PRO

GLU

LEU

8

CYS

ASP

PHE

LYS

GLU

ASN

GLY

ARG

VAL

LYS

9

GLN

CYS

VAL

GLY

THR

VAL

THR

LEU

ASP

GLN

10

ILE

LYS

ASP

PRO

LEU

ASP

ILE

THR

CYS

ASN

11

GLU

VAL

GLN

GLY

VAL

Samples:

sample_1: cathelin-like domain, [U-15N; U-13C], 1.5 – 2 mM; phosphate buffer 50 mM; H2O 95%; D2O 5%

sample_2: cathelin-like domain, [U-15N; U-13C], 1.5 – 2 mM; phosphate buffer 50 mM; D2O 100%

sample_cond_1: pH: 6.2; temperature: 300 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	not available	not available	not available
HNCO	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available
HC(C)H-TOCSY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available

Software:

GIFA v4.4 - processing

X-PLOR v3.8 - refinement

XWINNMR v2.0 -

NMR spectrometers:

Bruker Avance 600 MHz
Varian INOVA 800 MHz

PDB	1KWI 1LXE 1N5H 1N5P
EMBL	CAA56251 CAA58240 CAA58241 CAA58890 CAA58891
GB	AAA31061
PRF	2013229A
REF	NP_001116621 NP_001116622 NP_001123438
SP	P32194 P32195 P32196 P49933 P49934
AlphaFold	P32194 P32195 P32196 P49933 P49934 P32194 P32195 P32196 P49933 P49934