BMRB Entry 17906

Name: NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula
Published: 2011-12-14

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PDB ID: 2liu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17906
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula PubMed: 22103656

Deposition date: 2011-09-01 Original release date: 2011-12-14

Authors: Busche, Alena; Gottstein, Daniel; Hein, Christopher; Ripin, Nina; Pader, Irina; Gu, Liangcai; Walsh, Christopher; Sherman, David; Loehr, Frank; Guentert, Peter; Doetsch, Volker

Citation: Busche, Alena; Gottstein, Daniel; Hein, Christopher; Ripin, Nina; Pader, Irina; Tufar, Peter; Eisman, Eli; Gu, Liangcai; Walsh, Christopher; Sherman, David; Lohr, Frank; Guntert, Peter; Dotsch, Volker. "Characterization of molecular interactions between ACP and halogenase domains in the Curacin A polyketide synthase." ACS Chem. Biol. 7, 378-386 (2012).

Assembly members:
entity, polymer, 99 residues, 11009.415 Da.

Natural source: Common Name: Lyngbya majuscula Taxonomy ID: 158786 Superkingdom: Bacteria Kingdom: not available Genus/species: Lyngbya majuscula

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

Entity Sequences (FASTA):
entity: SGLVPRGSHMTPQVNQVNLS EIKQVLKQQLAEALYTEESE IAEDQKFVDLGLDSIVGVEW TTTINQTYNLNLKATKLYDY PTLLELSGYIAQILSSQGT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	418
15N chemical shifts	108
1H chemical shifts	688

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CurA	1

Entities:

Entity 1, CurA 99 residues - 11009.415 Da.

1

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

MET

2

THR

PRO

GLN

VAL

ASN

GLN

VAL

ASN

LEU

SER

3

GLU

ILE

LYS

GLN

VAL

LEU

LYS

GLN

LEU

4

ALA

GLU

ALA

LEU

TYR

THR

GLU

SER

GLU

5

ILE

ALA

GLU

ASP

GLN

LYS

PHE

VAL

ASP

LEU

6

GLY

LEU

ASP

SER

ILE

VAL

GLY

VAL

GLU

TRP

7

THR

ILE

ASN

GLN

THR

TYR

ASN

LEU

8

ASN

LEU

LYS

ALA

THR

LYS

LEU

TYR

ASP

TYR

9

PRO

THR

LEU

GLU

LEU

SER

GLY

TYR

ILE

10

ALA

GLN

ILE

LEU

SER

GLN

GLY

THR

Samples:

Holo_ACPI_15N: CurA, [U-15N], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%; D2O 5%

Holo_ACPI_13C: CurA, [U-13C], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%; D2O 5%

Holo_ACPI_15N_13C: CurA, [U-15N],[U-13C], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 291 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	Holo_ACPI_15N	isotropic	sample_conditions_1
3D HNCACB	Holo_ACPI_15N_13C	isotropic	sample_conditions_1
3D HNCO	Holo_ACPI_15N_13C	isotropic	sample_conditions_1
3D HNCACO	Holo_ACPI_15N_13C	isotropic	sample_conditions_1
3D H(CCCO)NH-TOCSY	Holo_ACPI_15N_13C	isotropic	sample_conditions_1
3D (H)C(CCO)NH-TOCSY	Holo_ACPI_15N_13C	isotropic	sample_conditions_1
3D 1H-13C NOESY	Holo_ACPI_15N	isotropic	sample_conditions_1
3D 1H-15N NOESY	Holo_ACPI_13C	isotropic	sample_conditions_1
(H)CB(CGCC-TOCSY)Har	Holo_ACPI_15N_13C	isotropic	sample_conditions_1

Software:

CYANA v2.1 and 3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 900 MHz

Biological Magnetic Resonance Data Bank