BMRB Entry 7103

Name: 1H, 15N and 13C assignments of the H98S mutant of acireductone dioxygenase from Klebsiella ATCC 8724
Published: 2006-11-14

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PDB ID: 2hji
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7103
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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, 15N and 13C assignments of the H98S mutant of acireductone dioxygenase from Klebsiella ATCC 8724

Deposition date:

2006-05-06

Original release date:

2006-11-14

Authors:

Ju, Tingting; Pochapsky, Susan; Pochapsky, Thomas

Citation:

Citation: Ju, TIngting; Pochapsky, Susan; Pochapsky, Thomas. "Model for the solution structure of Fe-ARD" The BMRB entry is the only known published source for the data..

Assembly members:

Assembly members:
H98S mutant of ARD, polymer, 179 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
H98S mutant of ARD: SALTIFSVKDPQNSLWHSTN AEEIQQQLNAKGVRFERWQA DRDLGAAPTAETVIAAYQHA IDKLVAEKGYQSWDVISLRA DNPQKEALREKFLNEHTSGE DEVRFFVEGAGLFCLHIGDE VFQVLCEKNDLISVPAHTPH WFDMGSEPNFTAIRIFDNPE GWIAQFTGDDIASAYPRLA

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	709
15N chemical shifts	189
1H chemical shifts	1154

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	H98S ARD	1

Entities:

Entity 1, H98S ARD 179 residues - Formula weight is not available

1

SER

ALA

LEU

THR

ILE

PHE

SER

VAL

LYS

ASP

2

PRO

GLN

ASN

SER

LEU

TRP

HIS

SER

THR

ASN

3

ALA

GLU

ILE

GLN

LEU

ASN

ALA

4

LYS

GLY

VAL

ARG

PHE

GLU

ARG

TRP

GLN

ALA

5

ASP

ARG

ASP

LEU

GLY

ALA

PRO

THR

ALA

6

GLU

THR

VAL

ILE

ALA

TYR

GLN

HIS

ALA

7

ILE

ASP

LYS

LEU

VAL

ALA

GLU

LYS

GLY

TYR

8

GLN

SER

TRP

ASP

VAL

ILE

SER

LEU

ARG

ALA

9

ASP

ASN

PRO

GLN

LYS

GLU

ALA

LEU

ARG

GLU

10

LYS

PHE

LEU

ASN

GLU

HIS

THR

SER

GLY

GLU

11

ASP

GLU

VAL

ARG

PHE

VAL

GLU

GLY

ALA

12

GLY

LEU

PHE

CYS

LEU

HIS

ILE

GLY

ASP

GLU

13

VAL

PHE

GLN

VAL

LEU

CYS

GLU

LYS

ASN

ASP

14

LEU

ILE

SER

VAL

PRO

ALA

HIS

THR

PRO

HIS

15

TRP

PHE

ASP

MET

GLY

SER

GLU

PRO

ASN

PHE

16

THR

ALA

ILE

ARG

ILE

PHE

ASP

ASN

PRO

GLU

17

GLY

TRP

ILE

ALA

GLN

PHE

THR

GLY

ASP

18

ILE

ALA

SER

ALA

TYR

PRO

ARG

LEU

ALA

Samples:

sample_1: H98S ARD, [U-13C; U-15N], 1 mM; KPi buffer 50 mM; H2O 90%; D2O 10%

conditions_1: pH: 7.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N HSQC	sample_1	not available	conditions_1
1H,15N-edited NOESY	sample_1	not available	conditions_1
1H,13C-edited NOESY (aliphatic)	sample_1	not available	conditions_1
1H,13C edited NOESY (aromatic)	sample_1	not available	conditions_1
HNCA	sample_1	not available	conditions_1
HN(CO)CA	sample_1	not available	conditions_1
HNCACB	sample_1	not available	conditions_1
CBCA(CO)NH	sample_1	not available	conditions_1
1H13C HSQC	sample_1	not available	conditions_1
HCCH TOCSY (aliphatic)	sample_1	not available	conditions_1
HCCH TOCSY (aromatic)	sample_1	not available	conditions_1

Software:

No software information available

NMR spectrometers:

Varian Unity Plus 600 MHz

BMRB	4313
PDB	1ZRR 2HJI
EMBL	CDL21583
GB	AAD11793 AEX04546 AFN31360 AHW90075 AID89020
REF	WP_004100130 WP_004111302 WP_004130392 WP_004135399 WP_004848741
SP	Q9ZFE7
AlphaFold	Q9ZFE7