BMRB Entry 6125

Name: 1H, 13C, 15N chemical shift assignments of an enolase-phosphatase E1 from Klebsiella oxytoca
Published: 2004-12-16

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6125

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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:

1H, 13C, 15N chemical shift assignments of an enolase-phosphatase E1 from Klebsiella oxytoca

Deposition date:

2004-03-03

Original release date:

2004-12-16

Authors:

Kostic, Milka; Pochapsky, Thomas

Citation:

Citation: Kostic, Milka; Pochapsky, Thomas. "1H, 13C and 15N chemical shift assignments of an enolase-phosphatase, E1, from Klebsiella oxytoca" J. Biomol. NMR 30, 359-360 (2004).

Assembly members:

Assembly members:
enolase-phosphatase, polymer, 228 residues, 25613.8 Da.
MG, non-polymer, 24.305 Da.

Natural source:

Natural source: Common Name: Klebsiella oxytoca Taxonomy ID: 571 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella oxytoca

Experimental source:

Experimental source: Production method: recombinant technology Vector: pTCP01

Entity Sequences (FASTA):

Entity Sequences (FASTA):
enolase-phosphatase: IRAIVTDIEGTTSDIRFVHN VLFPYARERLAGFVTAQQFV EPVKTILDNLREEIAQPAAG AEELIATLFAFMDEDRKSTA LKALQGIIWRDGYVHGDFTG HLYPDVLPALEKWKSQGIDL YVYSSGSVAAQKLLFGYSDE GDITHLFNGYFDTLVGAKRE AQSYRNIAEQLGQPPAAILF LSDIHQELDAAEEAGFRTLQ LVRGDRDPASHHPQVQRFDD IHPEQIPA

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	859
15N chemical shifts	228
1H chemical shifts	1248

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	E1 monomer	1
2	Mg2+	2

Entities:

Entity 1, E1 monomer 228 residues - 25613.8 Da.

1

ILE

ARG

ALA

ILE

VAL

THR

ASP

ILE

GLU

GLY

2

THR

SER

ASP

ILE

ARG

PHE

VAL

HIS

ASN

3

VAL

LEU

PHE

PRO

TYR

ALA

ARG

GLU

ARG

LEU

4

ALA

GLY

PHE

VAL

THR

ALA

GLN

PHE

VAL

5

GLU

PRO

VAL

LYS

THR

ILE

LEU

ASP

ASN

LEU

6

ARG

GLU

ILE

ALA

GLN

PRO

ALA

GLY

7

ALA

GLU

LEU

ILE

ALA

THR

LEU

PHE

ALA

8

PHE

MET

ASP

GLU

ASP

ARG

LYS

SER

THR

ALA

9

LEU

LYS

ALA

LEU

GLN

GLY

ILE

TRP

ARG

10

ASP

GLY

TYR

VAL

HIS

GLY

ASP

PHE

THR

GLY

11

HIS

LEU

TYR

PRO

ASP

VAL

LEU

PRO

ALA

LEU

12

GLU

LYS

TRP

LYS

SER

GLN

GLY

ILE

ASP

LEU

13

TYR

VAL

TYR

SER

GLY

SER

VAL

ALA

14

GLN

LYS

LEU

PHE

GLY

TYR

SER

ASP

GLU

15

GLY

ASP

ILE

THR

HIS

LEU

PHE

ASN

GLY

TYR

16

PHE

ASP

THR

LEU

VAL

GLY

ALA

LYS

ARG

GLU

17

ALA

GLN

SER

TYR

ARG

ASN

ILE

ALA

GLU

GLN

18

LEU

GLY

GLN

PRO

ALA

ILE

LEU

PHE

19

LEU

SER

ASP

ILE

HIS

GLN

GLU

LEU

ASP

ALA

20

ALA

GLU

ALA

GLY

PHE

ARG

THR

LEU

GLN

21

LEU

VAL

ARG

GLY

ASP

ARG

ASP

PRO

ALA

SER

22

HIS

PRO

GLN

VAL

GLN

ARG

PHE

ASP

23

ILE

HIS

PRO

GLU

GLN

ILE

PRO

ALA

Entity 2, Mg2+ - Mg - 24.305 Da.

1

MG

Samples:

sample_1: enolase-phosphatase, [U-13C; U-N15], 0.5 – 1 mM

sample_2: enolase-phosphatase, [U-15N], 1.0 mM

sample_3: enolase-phosphatase, [15N]-Thr, 1.0 mM

Ex-cond_1: pH: 7.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	not available	not available	Ex-cond_1
HN(CO)CA	not available	not available	Ex-cond_1
HNCACB	not available	not available	Ex-cond_1
CBCA(CO)NH	not available	not available	Ex-cond_1
HCCONH	not available	not available	Ex-cond_1
1H-15N HSQC	not available	not available	Ex-cond_1
1H-15N NOESY	not available	not available	Ex-cond_1
1H-15N TOCSY	not available	not available	Ex-cond_1

Software:

No software information available

NMR spectrometers:

Varian INOVA 600 MHz

GB	AAC43183 AFN31361 EHT02105 EHT02397 EHT03381
REF	WP_004100131 WP_004130394 WP_004848743 WP_014837800 WP_024358822
SP	Q48389
AlphaFold	Q48389