BMRB Entry 4575

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4575

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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:

Letter to the Editor: Backbone resonance assignment of the N-terminal 24 kDa fragment of the gyrase B subunit from S. aureus complexed with novobiocin

Deposition date:

2000-01-26

Original release date:

2000-04-03

Authors:

Klaus, Werner; Ross, Alfred; Gsell, Bernard; Senn, Hans

Citation:

Citation: Klaus, Werner; Ross, Alfred; Gsell, Bernard; Senn, Hans. "Letter to the Editor: Backbone Resonance Assignment of the N-terminal 24 kDa Fragment of the Gyrase B Subunit from S. aureus Complexed with Novobiocin" J. Biomol. NMR 16, 357-358 (2000).

Assembly members:

Assembly members:
gyrase B fragment, polymer, 211 residues, 24000 Da.
NOVOBIOCIN, non-polymer, 612.624 Da.

Natural source:

Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichi coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
gyrase B fragment: GLEVVRKRPGMYIGSTSERG LHHLVWEIVDNSIDEALAGY ANQIEVVIEKDNWIKVTDNG RGIPVDIQEKMGRPAVEVIL TVLHAGGKFGGGGYKVSGGL HGVGSSVVNALSQDLEVYVH RNETIYHQAYKKGVPQFDLK EVGTTDKTGTVIRFKADGEI FTETTVYNYETLQQRIRELA FLNKGIQITLRDERDEENVR EDSYHYEGGIK

Data sets:

assigned_chemical_shifts
- gyrB-novo_pH_6.5

Data type	Count
13C chemical shifts	583
15N chemical shifts	202
1H chemical shifts	582

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	gyrB	1
2	novobiocin	2

Entities:

Entity 1, gyrB 211 residues - 24000 Da.

1

GLY

LEU

GLU

VAL

ARG

LYS

ARG

PRO

GLY

2

MET

TYR

ILE

GLY

SER

THR

SER

GLU

ARG

GLY

3

LEU

HIS

LEU

VAL

TRP

GLU

ILE

VAL

ASP

4

ASN

SER

ILE

ASP

GLU

ALA

LEU

ALA

GLY

TYR

5

ALA

ASN

GLN

ILE

GLU

VAL

ILE

GLU

LYS

6

ASP

ASN

TRP

ILE

LYS

VAL

THR

ASP

ASN

GLY

7

ARG

GLY

ILE

PRO

VAL

ASP

ILE

GLN

GLU

LYS

8

MET

GLY

ARG

PRO

ALA

VAL

GLU

VAL

ILE

LEU

9

THR

VAL

LEU

HIS

ALA

GLY

LYS

PHE

GLY

10

GLY

TYR

LYS

VAL

SER

GLY

LEU

11

HIS

GLY

VAL

GLY

SER

VAL

ASN

ALA

12

LEU

SER

GLN

ASP

LEU

GLU

VAL

TYR

VAL

HIS

13

ARG

ASN

GLU

THR

ILE

TYR

HIS

GLN

ALA

TYR

14

LYS

GLY

VAL

PRO

GLN

PHE

ASP

LEU

LYS

15

GLU

VAL

GLY

THR

ASP

LYS

THR

GLY

THR

16

VAL

ILE

ARG

PHE

LYS

ALA

ASP

GLY

GLU

ILE

17

PHE

THR

GLU

THR

VAL

TYR

ASN

TYR

GLU

18

THR

LEU

GLN

ARG

ILE

ARG

GLU

LEU

ALA

19

PHE

LEU

ASN

LYS

GLY

ILE

GLN

ILE

THR

LEU

20

ARG

ASP

GLU

ARG

ASP

GLU

ASN

VAL

ARG

21

GLU

ASP

SER

TYR

HIS

TYR

GLU

GLY

ILE

22

LYS

Entity 2, novobiocin - C31 H36 N2 O11 - 612.624 Da.

1

NOV

Samples:

sample_1: gyrase B fragment, [U-13C; U-15N], 1.2 mM

gyrB: pH: 6.5; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	sample_1	not available	gyrB
HNCO	sample_1	not available	gyrB
CBCA(CO)NH	sample_1	not available	gyrB
HNCACB	sample_1	not available	gyrB
HBHA(CO)NH	sample_1	not available	gyrB
15N-edited NOESY-HSQC	sample_1	not available	gyrB

Software:

nmrPipe -

GARANT -

NMR spectrometers:

Bruker DMX 600 MHz

PDB	4URM 4URO
DBJ	BAA01369 BAB41221 BAB56167 BAB93870 BAC11788
EMBL	CAA50570 CAG39033 CAG41777 CAI79693 CAQ48445
GB	AAW37393 ABD21942 ABD29196 ABD52436 ABQ47819
REF	WP_000255576 WP_000255577 WP_000255578 WP_000255579 WP_000255580
SP	P0A0K7 P0A0K8 P66936 P66937 Q2FKQ1
AlphaFold	P0A0K7 P0A0K8 P66936 P66937 Q2FKQ1