BMRB Entry 16475

Name: Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240
Published: 2009-12-14

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16475

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

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Title:

Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240

Deposition date:

2009-09-01

Original release date:

2009-12-14

Authors:

Barb, Adam; Jiang, Ling; Raetz, Christian; Zhou, Pei

Citation:

Citation: Barb, Adam; Jiang, Ling; Raetz, Christian; Zhou, Pei. "Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240." Biomol. NMR Assignments 4, 37-40 (2010).
PubMed: 19941092

Assembly members:

Assembly members:
LpxC, polymer, 305 residues, Formula weight is not available
L-161,240, non-polymer, 308.33 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LpxC: MIKQRTLKRIVQATGVGLHT GKKVTLTLRPAPANTGVIYR RTDLNPPVDFPADAKSVRDT MLCTCLVNEHDVRISTVEHL NAALAGLGIDNIVIEVNAPE IPIMDGSAAPFVYLLLDAGI DELNCAKKFVRIKETVRVED GDKWAEFKPYNGFSLDFTID FNHPAIDSSNQRYAMNFSAD AFMRQISRARTFGFMRDIEY LQSRGLCLGGSFDCAIVVDD YRVLNEDGLRFEDEFVRHKM LDAIGDLFMCGHNIIGAFTA YKSGHALNNKLLQAVLAKQE AWEYVTFQDDAELPLAFKAP SAVLA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	824
15N chemical shifts	275
1H chemical shifts	526

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LpxC	1
2	L-161,240	2
3	Zinc	3

Entities:

Entity 1, LpxC 305 residues - Formula weight is not available

1

MET

ILE

LYS

GLN

ARG

THR

LEU

LYS

ARG

ILE

2

VAL

GLN

ALA

THR

GLY

VAL

GLY

LEU

HIS

THR

3

GLY

LYS

VAL

THR

LEU

THR

LEU

ARG

PRO

4

ALA

PRO

ALA

ASN

THR

GLY

VAL

ILE

TYR

ARG

5

ARG

THR

ASP

LEU

ASN

PRO

VAL

ASP

PHE

6

PRO

ALA

ASP

ALA

LYS

SER

VAL

ARG

ASP

THR

7

MET

LEU

CYS

THR

CYS

LEU

VAL

ASN

GLU

HIS

8

ASP

VAL

ARG

ILE

SER

THR

VAL

GLU

HIS

LEU

9

ASN

ALA

LEU

ALA

GLY

LEU

GLY

ILE

ASP

10

ASN

ILE

VAL

ILE

GLU

VAL

ASN

ALA

PRO

GLU

11

ILE

PRO

ILE

MET

ASP

GLY

SER

ALA

PRO

12

PHE

VAL

TYR

LEU

ASP

ALA

GLY

ILE

13

ASP

GLU

LEU

ASN

CYS

ALA

LYS

PHE

VAL

14

ARG

ILE

LYS

GLU

THR

VAL

ARG

VAL

GLU

ASP

15

GLY

ASP

LYS

TRP

ALA

GLU

PHE

LYS

PRO

TYR

16

ASN

GLY

PHE

SER

LEU

ASP

PHE

THR

ILE

ASP

17

PHE

ASN

HIS

PRO

ALA

ILE

ASP

SER

ASN

18

GLN

ARG

TYR

ALA

MET

ASN

PHE

SER

ALA

ASP

19

ALA

PHE

MET

ARG

GLN

ILE

SER

ARG

ALA

ARG

20

THR

PHE

GLY

PHE

MET

ARG

ASP

ILE

GLU

TYR

21

LEU

GLN

SER

ARG

GLY

LEU

CYS

LEU

GLY

22

SER

PHE

ASP

CYS

ALA

ILE

VAL

ASP

23

TYR

ARG

VAL

LEU

ASN

GLU

ASP

GLY

LEU

ARG

24

PHE

GLU

ASP

GLU

PHE

VAL

ARG

HIS

LYS

MET

25

LEU

ASP

ALA

ILE

GLY

ASP

LEU

PHE

MET

CYS

26

GLY

HIS

ASN

ILE

GLY

ALA

PHE

THR

ALA

27

TYR

LYS

SER

GLY

HIS

ALA

LEU

ASN

LYS

28

LEU

GLN

ALA

VAL

LEU

ALA

LYS

GLN

GLU

29

ALA

TRP

GLU

TYR

VAL

THR

PHE

GLN

ASP

30

ALA

GLU

LEU

PRO

LEU

ALA

PHE

LYS

ALA

PRO

31

SER

ALA

VAL

LEU

ALA

Entity 2, L-161,240 - C15H20N2O5 - 308.33 Da.

1

L-161,240

Entity 3, Zinc - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: LpxC, [U-13C; U-15N; U-2H], 1 mM; L-161,240 1 mM; Zinc 1 mM; D2O 10%; H2O 90%; NaPO4 25 mM; NaCl 100 mM

sample_2: LpxC, [U-100% 13C; U-100% 15N], 1 mM; L-161,240 1 mM; Zinc 1 mM; D2O 10%; H2O 90%; NaPO4 25 mM; NaCl 100 mM

sample_3: LpxC, [U-100% 2H], 1 mM; L-161,240 1 mM; Zinc 1 mM; D2O 100%; NaPO4 25 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 0.100 M; pH: 6.25; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1

Software:

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 600 MHz

PDB	3P3G 3PS1 3PS2 3PS3 4IS9 4ISA 4MDT 4MQY
DBJ	BAB33523 BAB96664 BAG75622 BAI23460 BAI28976
EMBL	CAA38873 CAD01291 CAP74665 CAQ30613 CAQ87701
GB	AAA83849 AAC73207 AAG54400 AAL19098 AAN41758
PIR	AC0519
REF	NP_308127 NP_414638 NP_454746 NP_459139 NP_706051
SP	A1A7E1 A7ZHI7 A7ZW48 A8ALK0 A9MQB6
AlphaFold	A1A7E1 A7ZHI7 A7ZW48 A8ALK0 A9MQB6