BMRB Entry 16624

Name: Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase
Published: 2010-02-09

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PDB ID: 2kr5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16624
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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:

Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase

Deposition date:

2009-12-03

Original release date:

2010-02-09

Authors:

Wattana-amorn, Pakorn; Williams, Christopher; Ploskon, Eliza; Cox, Russell; Simpson, Thomas; Crosby, John; Crump, Matthew

Citation:

Citation: Wattana-amorn, Pakorn; Williams, Christopher; Posko, Eliza; Cox, Russell; Simpson, Thomas; Crosby, John; Crump, Matthew. "Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase." Biochemistry 49, 2186-2193 (2010).
PubMed: 20136099

Assembly members:

Assembly members:
ACP, polymer, 89 residues, 9429.646 Da.

Natural source:

Natural source: Common Name: Aspergillus parasiticus Taxonomy ID: 5067 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aspergillus parasiticus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Aspergillus parasiticus Vector: pET30b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ACP: AMAKGVGVSNEKLDAVMRVV SEESGIALEELTDDSNFADM GIDXLSSMVIGSRFREDLGL DLGPEFSLFIDCTTVRALKD FMLGSGDAG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	365
15N chemical shifts	93
1H chemical shifts	601

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ACP	1

Entities:

Entity 1, ACP 89 residues - 9429.646 Da.

1

ALA

MET

ALA

LYS

GLY

VAL

GLY

VAL

SER

ASN

2

GLU

LYS

LEU

ASP

ALA

VAL

MET

ARG

VAL

3

SER

GLU

SER

GLY

ILE

ALA

LEU

GLU

4

LEU

THR

ASP

SER

ASN

PHE

ALA

ASP

MET

5

GLY

ILE

ASP

PNS

LEU

SER

MET

VAL

ILE

6

GLY

SER

ARG

PHE

ARG

GLU

ASP

LEU

GLY

LEU

7

ASP

LEU

GLY

PRO

GLU

PHE

SER

LEU

PHE

ILE

8

ASP

CYS

THR

VAL

ARG

ALA

LEU

LYS

ASP

9

PHE

MET

LEU

GLY

SER

GLY

ASP

ALA

GLY

Samples:

sample_1: ACP, [U-95% 13C; U-95% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 298 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 HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

ARIA v1.2, Linge, O'Donoghue and Nilges - structure solution

ANALYSIS v1.0, CCPN - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2KR5
DBJ	BAC45240 BAE59509 BAE71314
GB	AAC41674 AAC41675 AAR32704 AAS66004 AAS90022
PRF	2123354A
REF	XP_001821511 XP_002379951
SP	Q12053
AlphaFold	Q12053