BMRB Entry 4643

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PDB ID: 1fry
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4643
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

The solution structure of sheep myeloid antimicrobial peptide (smap29) and its relationship to biological function

Deposition date:

2000-09-07

Original release date:

2002-09-23

Authors:

Waring, A.; Sawai, M.; McCray, P.; Robertson, A.; Lehrer, R.

Citation:

Citation: Tack, B.; Sawai, M.; Kearny, W.; Robertson, A.; Sherman, M.; Wang, W.; Hong, T.; Boo, L.; Wu, H.; Waring, A.; Lehrer, R.. "SMAP-29 has two LPS-binding sites and a central hinge" Eur. J. Biochem. 269, 1181-1189 (2002).
PubMed: 11856344

Assembly members:

Assembly members:
MYELOID ANTIMICROBIAL PEPTIDE, polymer, 29 residues, Formula weight is not available

Natural source:

Natural source: Common Name: sheep Taxonomy ID: 9940 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ovis aries

Experimental source:

Experimental source: Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MYELOID ANTIMICROBIAL PEPTIDE: RGLRRLGRKIAHGVKKYGPT VLRIIRIAG

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- JHNHA

Data type	Count
1H chemical shifts	203
coupling constants	8

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MYELOID ANTIMICROBIAL PEPTIDE	1

Entities:

Entity 1, MYELOID ANTIMICROBIAL PEPTIDE 29 residues - Formula weight is not available

1

ARG

GLY

LEU

ARG

LEU

GLY

ARG

LYS

ILE

2

ALA

HIS

GLY

VAL

LYS

TYR

GLY

PRO

THR

3

VAL

LEU

ARG

ILE

ARG

ILE

ALA

GLY

Samples:

sample_1: MYELOID ANTIMICROBIAL PEPTIDE 1 mM; phosphate buffer 50 mM; H2O 60%; trifluoroethanol, [U-2H], 40%

sample_cond_1: pH: 5.94; temperature: 298 K; ionic strength: 50 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	not available	sample_cond_1
DQF-COSY	sample_1	not available	sample_cond_1
TOCSY	sample_1	not available	sample_cond_1

Software:

DYANA v1.5 - structure solution

VNMR v4.3b - collection

VNMR v6.1b - data analysis, refinement

NMR spectrometers:

Varian UNITY 500 MHz

PDB	1FRY
EMBL	CAA63412 CAA63413
GB	AAA85470 AAB49715
REF	NP_001009406
SP	P49928 P49929
AlphaFold	P49928 P49929