BMRB Entry 5375

Name: Structure of BPTI_8A mutant
Published: 2003-01-06

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PDB ID: 1ld6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5375
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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:

Structure of BPTI_8A mutant

Deposition date:

2002-05-13

Original release date:

2003-01-06

Authors:

Cierpicki, T.; Otlewski, J.

Citation:

Citation: Cierpicki, T.; Otlewski, J.. "NMR Structures of Two Variants of Bovine Pancreatic Trypsin Inhibitor (BPTI) reveal Unexpected Influence of Mutations on Protein Structure and Stability" J. Mol. Biol. 321, 647-658 (2002).
PubMed: 12206780

Assembly members:

Assembly members:
pancreatic trypsin inhibitor, polymer, 58 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pancreatic trypsin inhibitor: RPDFCLEPPYAGACRAAAAR YFYNAKAGLCQTFAYGACAA KRNNFKSAEDCLRTCGGA

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- coupling_constant_set_1

Data type	Count
1H chemical shifts	368
coupling constants	39

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pancreatic trypsin inhibitor	1

Entities:

Entity 1, pancreatic trypsin inhibitor 58 residues - Formula weight is not available

1

ARG

PRO

ASP

PHE

CYS

LEU

GLU

PRO

TYR

2

ALA

GLY

ALA

CYS

ARG

ALA

ARG

3

TYR

PHE

TYR

ASN

ALA

LYS

ALA

GLY

LEU

CYS

4

GLN

THR

PHE

ALA

TYR

GLY

ALA

CYS

ALA

5

LYS

ARG

ASN

PHE

LYS

SER

ALA

GLU

ASP

6

CYS

LEU

ARG

THR

CYS

GLY

ALA

Samples:

sample_1: pancreatic trypsin inhibitor 3 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 0 M; pH: 2.9; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

NMRPipe v1.8 - processing

SPARKY v3.95 - data analysis

DYANA v1.5 - structure solution

CNS v1.0 - refinement

NMR spectrometers:

Bruker DRX 500 MHz