BMRB Entry 15601

Name: Chemical shift assignments for Atra-PBP1
Published: 2008-06-05

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PDB ID: 2kph
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15601
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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:

Chemical shift assignments for Atra-PBP1

Deposition date:

2007-12-18

Original release date:

2008-06-05

Authors:

Ames, James

Citation:

Citation: Xu, Xianzhong; Li, Yun; Rayo, Josep; Ishida, Yuko; Leal, Walter; Ames, James. "1H, 15N, and 13C Chemical shift assignments of the navel orange worm pheromone-binding protein-1 (Atra-PBP1)" Biomol. NMR Assignments 2, 105-106 (2008).
PubMed: 19636880

Assembly members:

Assembly members:
Atra-PBP1, polymer, 142 residues, Formula weight is not available

Natural source:

Natural source: Common Name: polyphemus moth Taxonomy ID: 7120 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Antheraea Polyphemus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Atra-PBP1: SPEIMKDLSINFGKALDTCK KELDLPDSINEDFYKFWKED YEITNRLTGCAIKCLSEKLE MVDADGKLHHGNAREFAMKH GADDAMAKQLVDLIHGCEKS IPPNDDRCMEVLSIAMCFKK EIHNLKWAPNMEVVVGEVLA EV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	409
15N chemical shifts	135
1H chemical shifts	521

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1

Entities:

Entity 1, subunit 1 142 residues - Formula weight is not available

1

SER

PRO

GLU

ILE

MET

LYS

ASP

LEU

SER

ILE

2

ASN

PHE

GLY

LYS

ALA

LEU

ASP

THR

CYS

LYS

3

LYS

GLU

LEU

ASP

LEU

PRO

ASP

SER

ILE

ASN

4

GLU

ASP

PHE

TYR

LYS

PHE

TRP

LYS

GLU

ASP

5

TYR

GLU

ILE

THR

ASN

ARG

LEU

THR

GLY

CYS

6

ALA

ILE

LYS

CYS

LEU

SER

GLU

LYS

LEU

GLU

7

MET

VAL

ASP

ALA

ASP

GLY

LYS

LEU

HIS

8

GLY

ASN

ALA

ARG

GLU

PHE

ALA

MET

LYS

HIS

9

GLY

ALA

ASP

ALA

MET

ALA

LYS

GLN

LEU

10

VAL

ASP

LEU

ILE

HIS

GLY

CYS

GLU

LYS

SER

11

ILE

PRO

ASN

ASP

ARG

CYS

MET

GLU

12

VAL

LEU

SER

ILE

ALA

MET

CYS

PHE

LYS

13

GLU

ILE

HIS

ASN

LEU

LYS

TRP

ALA

PRO

ASN

14

MET

GLU

VAL

GLY

GLU

VAL

LEU

ALA

15

GLU

VAL

Samples:

sample_1: Atra-PBP1, [U-100% 13C; U-100% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%

sample_conditions_1: ionic strength: 0.1 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Bruker DRX 600 MHz

PDB	2KPH 4INW 4INX
GB	ACX47890
REF	NP_001299593