BMRB Entry 6553

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PDB ID: 1yza
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6553
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:

Specific non-native hydrophobic interactions in a hidden folding intermediate: implication for protein folding

Deposition date:

2005-03-18

Original release date:

2005-08-30

Authors:

Feng, H.; Takei, T.; Lipsitz, R.; Tjandra, N.; Bai, Y.

Citation:

Citation: Feng, H.; Takei, J.; Lipsitz, R.; Tjandra, N.; Bai, Y.. "Specific non-native hydrophobic interactions in a hidden folding intermediate: implications for protein folding" Biochemistry 42, 12461-12465 (2003).
PubMed: 14580191

Assembly members:

Assembly members:
redesigned apo-cytochrome b562, polymer, 106 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
redesigned apo-cytochrome b562: ADLEDNDETGNDNGKGGEKA DNAAQVKDALTKMRAAALDA QKATPPKLEDKSPDSPEMKD FRHGFDILVGQIDDALKLAN EGKVKEAQAAAEQLKTTIRA YNQKYG

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- coupling_constants_set_1

Data type	Count
13C chemical shifts	315
15N chemical shifts	113
1H chemical shifts	672
coupling constants	76

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Redesigned apo-cytochrome b562	1

Entities:

Entity 1, Redesigned apo-cytochrome b562 106 residues - Formula weight is not available

1

ALA

ASP

LEU

GLU

ASP

ASN

ASP

GLU

THR

GLY

2

ASN

ASP

ASN

GLY

LYS

GLY

GLU

LYS

ALA

3

ASP

ASN

ALA

GLN

VAL

LYS

ASP

ALA

LEU

4

THR

LYS

MET

ARG

ALA

LEU

ASP

ALA

5

GLN

LYS

ALA

THR

PRO

LYS

LEU

GLU

ASP

6

LYS

SER

PRO

ASP

SER

PRO

GLU

MET

LYS

ASP

7

PHE

ARG

HIS

GLY

PHE

ASP

ILE

LEU

VAL

GLY

8

GLN

ILE

ASP

ALA

LEU

LYS

LEU

ALA

ASN

9

GLU

GLY

LYS

VAL

LYS

GLU

ALA

GLN

ALA

10

ALA

GLU

GLN

LEU

LYS

THR

ILE

ARG

ALA

11

TYR

ASN

GLN

LYS

TYR

GLY

Samples:

sample_1: redesigned apo-cytochrome b562 mM; sodium acetate mM; H2O 92.5%; D2O 7.5%

sample_2: redesigned apo-cytochrome b562 mM; D2O 99%

sample_cond_1: pH: 4.84; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D HSQC	not available	not available	not available
3D 15N-separated NOESY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available
HNHA	not available	not available	not available
3D HNCACB	not available	not available	not available
3D CBCACONH	not available	not available	not available
D HAHBCONH	not available	not available	not available
3D HNCO	not available	not available	not available
2D NOESY	not available	not available	not available
2D residual dipolar expts	not available	not available	not available

Software:

X-PLOR vXPLOR-NIH-2.9 - refinement, structure solution

NMRPipe v5.0.4 - processing

NMR spectrometers:

Bruker DRX 750 MHz