BMRB Entry 5493

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5493

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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 1H, 15N and 13C resonance assignments of the Staphylococcus aureus acyl carrier protein synthase (AcpS)

Deposition date:

2002-08-07

Original release date:

2002-12-23

Authors:

Liu, Dingjiang; Black, Todd; Macinga, David; Palermo, Robert; Wyss, Daniel

Citation:

Citation: Liu, Dingjiang; Black, Todd; Macinga, David; Palermo, Robert; Wyss, Daniel. "Letter to the Editor: Backbone 1H, 15N and 13C resonance assignments of the Staphylococcus aureus acyl carrier protein synthase (AcpS)" J. Biomol. NMR 24, 273-274 (2002).

Assembly members:

Assembly members:
ACP synthase, polymer, 119 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ACP synthase: MIHGIGVDLIEIDRIQALYS KQPKLVERILTKNEQHKFNN FTHEQRKIEFLAGRFATKEA FSKALGTGLGKHVAFNDIDC YNDELGKPKIDYEGFIVHVS ISHTEHYAMSQVVLEKSAF

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	312
15N chemical shifts	106
1H chemical shifts	106

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AcpS, unit I	1
2	AcpS, unit II	1
3	AcpS, unit III	1

Entities:

Entity 1, AcpS, unit I 119 residues - Formula weight is not available

1

MET

ILE

HIS

GLY

ILE

GLY

VAL

ASP

LEU

ILE

2

GLU

ILE

ASP

ARG

ILE

GLN

ALA

LEU

TYR

SER

3

LYS

GLN

PRO

LYS

LEU

VAL

GLU

ARG

ILE

LEU

4

THR

LYS

ASN

GLU

GLN

HIS

LYS

PHE

ASN

5

PHE

THR

HIS

GLU

GLN

ARG

LYS

ILE

GLU

PHE

6

LEU

ALA

GLY

ARG

PHE

ALA

THR

LYS

GLU

ALA

7

PHE

SER

LYS

ALA

LEU

GLY

THR

GLY

LEU

GLY

8

LYS

HIS

VAL

ALA

PHE

ASN

ASP

ILE

ASP

CYS

9

TYR

ASN

ASP

GLU

LEU

GLY

LYS

PRO

LYS

ILE

10

ASP

TYR

GLU

GLY

PHE

ILE

VAL

HIS

VAL

SER

11

ILE

SER

HIS

THR

GLU

HIS

TYR

ALA

MET

SER

12

GLN

VAL

LEU

GLU

LYS

SER

ALA

PHE

Samples:

sample_1: ACP synthase, [U-13C; U-15N; U-2H], 1.0 mM; KiPO4 0.075 M

condition_1: ionic strength: 0.45 M; pH: 7.5 na; temperature: 298 K

Experiments:

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

Software:

FELIX v2000 - data processing

NMR spectrometers:

Varian INOVA 600 MHz

PDB	4DXE 4JM7
DBJ	BAB43158 BAB58233 BAB95860 BAF68248 BAF78939
EMBL	CAA76220 CAG41140 CAG43783 CAI81645 CAQ50498
GB	AAW37023 ABD20944 ABD31340 ABQ49890 ABR52975
REF	NP_372595 NP_375179 NP_646812 WP_000581193 WP_000581194
SP	A5IUL7 A6QIR6 A6U3F7 A7X4P8 A8Z4X4
AlphaFold	A5IUL7 A6QIR6 A6U3F7 A7X4P8 A8Z4X4