BMRB Entry 17647

Name: Backbone 13C, 15N, 1H chemical shift assignment of a thermostable mutant &quot;6B&quot; of a Lipase from Bacillus Subtilis
Published: 2011-10-12

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17647

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Backbone 13C, 15N, 1H chemical shift assignment of a thermostable mutant "6B" of a Lipase from Bacillus Subtilis

Deposition date:

2011-05-13

Original release date:

2011-10-12

Authors:

Kamal, Md. Zahid; Ahmad, Shoeb; Trivikram Rao, Molugu; Vijayalakshmi, Amash; Sankaranarayanan, Rajan

Citation:

Citation: Kamal, Md Zahid; Ahmad, Shoeb; Molugu, Trivikram Rao; Vijayalakshmi, Amash; Deshmukh, Mandar; Sankaranarayanan, Rajan; Rao, Nalam Madhusudhana. "In vitro evolved non-aggregating and thermostable lipase: structural and thermodynamic investigation." J. Mol. Biol. 413, 726-741 (2011).
PubMed: 21925508

Assembly members:

Assembly members:
6B, polymer, 181 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
6B: AEHNPVVMVHGIGGSSSNFE GIKSYLVSQGWSRDKLYAVD FWDKTGTNYNNGPVLSRFVQ KVLDETGAKKVDIVAHSMGG ANTLYYIKYLDGGNKVANVV TLGGANRLTTDKAPPGTDPN QKILYTSIYSSDDEIVPNYL SRLDGARNVQIHGVGHMGLL YSPQVYSLIKEGLNGGGQNT N

Data sets:

assigned_chemical_shifts
- Assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	427
15N chemical shifts	151
1H chemical shifts	151

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	6B	1

Entities:

Entity 1, 6B 181 residues - Formula weight is not available

1

ALA

GLU

HIS

ASN

PRO

VAL

MET

VAL

HIS

2

GLY

ILE

GLY

SER

ASN

PHE

GLU

3

GLY

ILE

LYS

SER

TYR

LEU

VAL

SER

GLN

GLY

4

TRP

SER

ARG

ASP

LYS

LEU

TYR

ALA

VAL

ASP

5

PHE

TRP

ASP

LYS

THR

GLY

THR

ASN

TYR

ASN

6

ASN

GLY

PRO

VAL

LEU

SER

ARG

PHE

VAL

GLN

7

LYS

VAL

LEU

ASP

GLU

THR

GLY

ALA

LYS

8

VAL

ASP

ILE

VAL

ALA

HIS

SER

MET

GLY

9

ALA

ASN

THR

LEU

TYR

ILE

LYS

TYR

LEU

10

ASP

GLY

ASN

LYS

VAL

ALA

ASN

VAL

11

THR

LEU

GLY

ALA

ASN

ARG

LEU

THR

12

ASP

LYS

ALA

PRO

GLY

THR

ASP

PRO

ASN

13

GLN

LYS

ILE

LEU

TYR

THR

SER

ILE

TYR

SER

14

SER

ASP

GLU

ILE

VAL

PRO

ASN

TYR

LEU

15

SER

ARG

LEU

ASP

GLY

ALA

ARG

ASN

VAL

GLN

16

ILE

HIS

GLY

VAL

GLY

HIS

MET

GLY

LEU

17

TYR

SER

PRO

GLN

VAL

TYR

SER

LEU

ILE

LYS

18

GLU

GLY

LEU

ASN

GLY

GLN

ASN

THR

19

ASN

Samples:

sample_1: 6B, [U-13C; U-15N; 2H (80%)], 0.5 mM; 6B, [15N], 0.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 5.7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin, Keller and Wuthrich - chemical shift assignment, collection

NMR spectrometers:

Bruker Avance 600 MHz