BMRB Entry 17093

Name: Structure and dynamics of a molten globular enzyme
Published: 2010-11-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17093

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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 and dynamics of a molten globular enzyme

Deposition date:

2010-08-02

Original release date:

2010-11-10

Authors:

Pervushin, Konstantin; Vamvaca, Katherina; Vogeli, Beat; Hilvert, Donald

Citation:

Citation: Pervushin, Konstantin; Vamvaca, Katherina; Vogeli, Beat; Hilvert, Donald. "Structure and dynamics of a molten globular enzyme" Nat. Struct. Biol. 14, 1202-1206 (2007).
PubMed: 17994104

Assembly members:

Assembly members:
mMjCM, polymer, 104 residues, Formula weight is not available
8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, non-polymer, 228.199 Da.

Natural source:

Natural source: Common Name: Methanococcus jannaschii Taxonomy ID: 2190 Superkingdom: Archaea Kingdom: not available Genus/species: Methanococcus jannaschii

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Escherichia coli Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mMjCM: MIEKLAEIRKKIDEIDNKIL KARWPWAEKLIAERNSLAKD VAEIKNQLGIPINDPEREKY IYDRIRKLCKEHNVDENIGI KIFQRLIEHNKALQKQYLEE TLEH

Data sets:

chemical_rates
- Chemical_rate_list

Data type	Count
binding constants	2
kinetic rates	4

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	mMjCM	1
2	TSA	2

Entities:

Entity 1, mMjCM 104 residues - Formula weight is not available

1

MET

ILE

GLU

LYS

LEU

ALA

GLU

ILE

ARG

LYS

2

LYS

ILE

ASP

GLU

ILE

ASP

ASN

LYS

ILE

LEU

3

LYS

ALA

ARG

TRP

PRO

TRP

ALA

GLU

LYS

LEU

4

ILE

ALA

GLU

ARG

ASN

SER

LEU

ALA

LYS

ASP

5

VAL

ALA

GLU

ILE

LYS

ASN

GLN

LEU

GLY

ILE

6

PRO

ILE

ASN

ASP

PRO

GLU

ARG

GLU

LYS

TYR

7

ILE

TYR

ASP

ARG

ILE

ARG

LYS

LEU

CYS

LYS

8

GLU

HIS

ASN

VAL

ASP

GLU

ASN

ILE

GLY

ILE

9

LYS

ILE

PHE

GLN

ARG

LEU

ILE

GLU

HIS

ASN

10

LYS

ALA

LEU

GLN

LYS

GLN

TYR

LEU

GLU

11

THR

LEU

GLU

HIS

Entity 2, TSA - C10 H12 O6 - 228.199 Da.

1

TSA

Samples:

sample_1: sodium phosphate 20 mM; sodium chloride 50 mM; mMjCM, [U-13C; U-15N], 0.6 mM; D2O 5%; H2O 95%; TSA 2.5 mM

sample_2: sodium phosphate 20 mM; sodium chloride 50 mM; mMjCM, [U-13C; U-15N], 0.1 uM; D2O 5%; H2O 95%; TSA 64 uM

sample_3: sodium phosphate 20 mM; sodium chloride 50 mM; mMjCM, [U-13C; U-15N], 0.1 uM; D2O 5%; H2O 95%; TSA 90 uM

sample_4: sodium phosphate 20 mM; sodium chloride 50 mM; mMjCM, [U-13C; U-15N], 0.1 uM; D2O 5%; H2O 95%; TSA 300 uM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 900 MHz