BMRB Entry 6910

Name: 1H,13C,15N chemical shift assignment for SMP-1 (Small Myrisoylated Protein-1) from Leishmania
Published: 2006-04-14

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PDB ID: 2fe0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6910
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:

1H,13C,15N chemical shift assignment for SMP-1 (Small Myrisoylated Protein-1) from Leishmania

Deposition date:

2005-11-29

Original release date:

2006-04-14

Authors:

Gooley, Paul; Mertens, Haydyn; Tull, Dedreia; McConville, Malcolm

Citation:

Citation: Gooley, Paul; Mertens, Haydyn; Tull, Dedreia; McConville, Malcolm. "1H, 13C and 15N Resonance Assignments of SMP-1: A Small Myristoylated Protein from Leishmania major" J. Biomol. NMR 36, 26-26 (2006).
PubMed: 16601858

Assembly members:

Assembly members:
SMP-1, polymer, 131 residues, 14988.8 Da.

Natural source:

Natural source: Common Name: Leishmania major Taxonomy ID: 5664 Superkingdom: Eukaryota Kingdom: Protista Genus/species: Leishmania major

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SMP-1: MGCGASSENSSVTYVNGRPT FVGEEVTKGFEKDNGLLFRI VNKKKKQWAYYNDTTQYEMH VLVTFNEDCDIKALGKTKLE QQENGEWVASVVVYPCETEM FIEGRVNGFKSKMDALPLSE EYRQHQAEKDK

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	423
15N chemical shifts	139
1H chemical shifts	824

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SMP-1	1

Entities:

Entity 1, SMP-1 131 residues - 14988.8 Da.

1

MET

GLY

CYS

GLY

ALA

SER

GLU

ASN

SER

2

SER

VAL

THR

TYR

VAL

ASN

GLY

ARG

PRO

THR

3

PHE

VAL

GLY

GLU

VAL

THR

LYS

GLY

PHE

4

GLU

LYS

ASP

ASN

GLY

LEU

PHE

ARG

ILE

5

VAL

ASN

LYS

GLN

TRP

ALA

TYR

6

TYR

ASN

ASP

THR

GLN

TYR

GLU

MET

HIS

7

VAL

LEU

VAL

THR

PHE

ASN

GLU

ASP

CYS

ASP

8

ILE

LYS

ALA

LEU

GLY

LYS

THR

LYS

LEU

GLU

9

GLN

GLU

ASN

GLY

GLU

TRP

VAL

ALA

SER

10

VAL

TYR

PRO

CYS

GLU

THR

GLU

MET

11

PHE

ILE

GLU

GLY

ARG

VAL

ASN

GLY

PHE

LYS

12

SER

LYS

MET

ASP

ALA

LEU

PRO

LEU

SER

GLU

13

GLU

TYR

ARG

GLN

HIS

GLN

ALA

GLU

LYS

ASP

14

LYS

Samples:

sample_1: SMP-1, [U-13C; U-15N], 1 mM; Dithiothreitol 5 mM; Sodium Phosphate 50 mM; H2O 90%; D2O 10%

conditions_1: ionic strength: 50 mM; pH: 6.8; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
CBCA(CO)NH	sample_1	not available	conditions_1
HNCACB	sample_1	not available	conditions_1
H(CCO)NH	sample_1	not available	conditions_1
C(CO)NH	sample_1	not available	conditions_1
HBHA(CO)NH	sample_1	not available	conditions_1
HCCH-TOCSY	sample_1	not available	conditions_1
HNHA	sample_1	not available	conditions_1
HNHB	sample_1	not available	conditions_1
(HB)CB(CGCD)HD	sample_1	not available	conditions_1
1H-TOCSY-relayed ct-(13C,1H)HMQC	sample_1	not available	conditions_1
15N-HSQC	sample_1	not available	conditions_1
13C-HSQC	sample_1	not available	conditions_1

Software:

NMRPipe v2.3, Frank Delaglio -

NMRView v5.2.2, Bruce Johnson -

NMR spectrometers:

Varian Inova 500 MHz
Varian Inova 600 MHz

PDB	2FE0
EMBL	CAJ04271 CAM67513 CBZ33770
GB	AAV59017
REF	XP_001465265 XP_001682883 XP_003860476