BMRB Entry 25063

Name: The backbone chemical shift assignments of [ZnZn]-IMP-1 metallo-beta-lactamase
Published: 2014-08-26

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25063

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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:

The backbone chemical shift assignments of [ZnZn]-IMP-1 metallo-beta-lactamase

Deposition date:

2014-07-02

Original release date:

2014-08-26

Authors:

Carruthers, Thomas; Otting, Gottfried

Citation:

Citation: Carruthers, Thomas; Carr, Paul; Loh, Choy-Theng; Jackson, Colin; Otting, Gottfried. "Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts." Angew. Chem. Int. Ed. 53, 14269-14272 (2014).
PubMed: 25320022

Assembly members:

Assembly members:
IMP-1, polymer, 233 residues, 25628.3184 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
IMP-1: MASMTGESLPDLKIEKLDEG VYVHTSFEEVNGWGVVPKHG LVVLVNAEAYLIDTPFTAKD TEKLVTWFVERGYKIKGSIS SHFHSDSTGGIEWLNSRSIP TYASELTNELLKKDGKVQAT NSFSGVNYWLVKNKIEVFYP GPGHTPDNVVVWLPERKILF GGCFIKPYGLGNLGDANIEA WPKSAKLLKSKYGKAKLVVP SHSEVGDASLLKLTLEQAVK GLNESKKPSKPSN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
1H chemical shifts	196
13C chemical shifts	555
15N chemical shifts	196

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	IMP-1	1
2	Zn1	2
3	Zn2	2

Entities:

Entity 1, IMP-1 233 residues - 25628.3184 Da.

Residues -4 to 1 (MASMTG) represent a non-native T7 expression tag used for improved protein production yields in cell-free protein synthesis

1

MET

ALA

SER

MET

THR

GLY

GLU

SER

LEU

PRO

2

ASP

LEU

LYS

ILE

GLU

LYS

LEU

ASP

GLU

GLY

3

VAL

TYR

VAL

HIS

THR

SER

PHE

GLU

VAL

4

ASN

GLY

TRP

GLY

VAL

PRO

LYS

HIS

GLY

5

LEU

VAL

LEU

VAL

ASN

ALA

GLU

ALA

TYR

6

LEU

ILE

ASP

THR

PRO

PHE

THR

ALA

LYS

ASP

7

THR

GLU

LYS

LEU

VAL

THR

TRP

PHE

VAL

GLU

8

ARG

GLY

TYR

LYS

ILE

LYS

GLY

SER

ILE

SER

9

SER

HIS

PHE

HIS

SER

ASP

SER

THR

GLY

10

ILE

GLU

TRP

LEU

ASN

SER

ARG

SER

ILE

PRO

11

THR

TYR

ALA

SER

GLU

LEU

THR

ASN

GLU

LEU

12

LEU

LYS

ASP

GLY

LYS

VAL

GLN

ALA

THR

13

ASN

SER

PHE

SER

GLY

VAL

ASN

TYR

TRP

LEU

14

VAL

LYS

ASN

LYS

ILE

GLU

VAL

PHE

TYR

PRO

15

GLY

PRO

GLY

HIS

THR

PRO

ASP

ASN

VAL

16

VAL

TRP

LEU

PRO

GLU

ARG

LYS

ILE

LEU

PHE

17

GLY

CYS

PHE

ILE

LYS

PRO

TYR

GLY

LEU

18

GLY

ASN

LEU

GLY

ASP

ALA

ASN

ILE

GLU

ALA

19

TRP

PRO

LYS

SER

ALA

LYS

LEU

LYS

SER

20

LYS

TYR

GLY

LYS

ALA

LYS

LEU

VAL

PRO

21

SER

HIS

SER

GLU

VAL

GLY

ASP

ALA

SER

LEU

22

LEU

LYS

LEU

THR

LEU

GLU

GLN

ALA

VAL

LYS

23

GLY

LEU

ASN

GLU

SER

LYS

PRO

SER

LYS

24

PRO

SER

ASN

Entity 2, Zn1 - Zn - 65.409 Da.

1

ZN

Samples:

ZnZN-IMP-1_in_vivo: [ZnZn]IMP-1, [U-13C; U-15N], 0.4 mM; MES 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

ZnZn-IMP-1_cell_free: [ZnZn]IMP-1, [U-13C; U-15N; U-2H], 0.4 mM; MES 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

IMP1: ionic strength: 0.120 M; pH: 6.500; pressure: 1.000 atm; temperature: 310.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	ZnZN-IMP-1_in_vivo	isotropic	IMP1
3D CBCA(CO)NH	ZnZN-IMP-1_in_vivo	isotropic	IMP1
3D HNCACB	ZnZN-IMP-1_in_vivo	isotropic	IMP1
3D TROSY-HNCA	ZnZn-IMP-1_cell_free	isotropic	IMP1
3D TROSY-HNCO	ZnZn-IMP-1_cell_free	isotropic	IMP1
3D TROSY-HNCACB	ZnZn-IMP-1_cell_free	isotropic	IMP1
3D TROSY-HNCACO	ZnZn-IMP-1_cell_free	isotropic	IMP1
2D TROSY-[1H-15N]	ZnZn-IMP-1_cell_free	isotropic	IMP1
2D 1H-15N HSQC	ZnZN-IMP-1_in_vivo	isotropic	IMP1

Software:

CcpNmr_Analysis v2.3, CCPN - Spectrum display, Spectrum analysis

Topspin v2.1, Bruker - Data Acquisition

nmrDraw vany, F. Delaglio/NIH - Spectrum display

nmrPipe vany, F. Delaglio/NIH - Spectrum processing

NMR spectrometers:

Bruker Avance 800 MHz

PDB	1JJE 1DD6 1DDK 1JJE 1JJT 1VGN 1WUO 1WUP 2DOO 3WXC 4C1F 4C1G 4F6H 4F6Z 4UAM
BMRB	25080
DBJ	BAA06111 BAA08930 BAA23768 BAA77393 BAB15941
EMBL	CAA11471 CAA67040 CAG26809 CAK55556 CAK55562
GB	AAB30289 AAL10407 AAL17637 AAN87168 AAP04478
REF	WP_003159548 WP_032490175 WP_032492096 WP_032492622 WP_057694208
SP	P52699
AlphaFold	P52699