BMRB Entry 6386

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PDB ID: 1y1b
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6386
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Structural and Functional Study of Anemonia Elastase Inhibitor, a "Non-classical" Kazal-type Inhibitor from Anemonia sulcata

Deposition date:

2004-11-15

Original release date:

2005-09-08

Authors:

Hemmi, Hikaru; Kumazaki, Takashi; Yoshizawa-Kumagaye, Kumiko; Nishiuchi, Yuji; Yoshida, Takuya; Ohkubo, Tadayasu; Kobayashi, Yuji

Citation:

Citation: Hemmi, Hikaru; Kumazaki, Takashi; Yoshizawa-Kumagaye, Kumiko; Nishiuchi, Yuji; Yoshida, Takuya; Ohkubo, Tadayasu; Kobayashi, Yuji. "Structural and Functional Study of an Anemonia Elastase Inhibitor, a "Nonclassical" Kazal-Type Inhibitor from Anemonia sulcata." Biochemistry 44, 9626-9636 (2005).
PubMed: 16008348

Assembly members:

Assembly members:
anemonia elastase inhibitor, polymer, 48 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Anemonia sulcata Taxonomy ID: 6108 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Anemonia sulcata

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
anemonia elastase inhibitor: KPDCPLICTMQYDPVCGSDG ITYGNACMLLGASCRSDTPI ELVHKGRC

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	321

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	aei monomer	1

Entities:

Entity 1, aei monomer 48 residues - Formula weight is not available

1

LYS

PRO

ASP

CYS

PRO

LEU

ILE

CYS

THR

MET

2

GLN

TYR

ASP

PRO

VAL

CYS

GLY

SER

ASP

GLY

3

ILE

THR

TYR

GLY

ASN

ALA

CYS

MET

LEU

4

GLY

ALA

SER

CYS

ARG

SER

ASP

THR

PRO

ILE

5

GLU

LEU

VAL

HIS

LYS

GLY

ARG

CYS

Samples:

sample_1: anemonia elastase inhibitor3.0 – 3.5 mM

Ex-cond_1: pH: 2.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-1H NOESY	not available	not available	not available
1H-1H TOCSY	not available	not available	not available
1H-1H DQFCOSY	not available	not available	not available
1H-1H ECOSY	not available	not available	not available
1H-1H ROESY	not available	not available	not available
1H-15N HSQC	not available	not available	not available

Software:

xwinnmr - processing

SPARKY - assignment, peak picking

NMR spectrometers:

Bruker Avance 500 MHz
Bruker DRX 600 MHz
Bruker Avance 800 MHz

PDB	1Y1B
SWISS-PROT	P16895