BMRB Entry 25787

Name: Solution structure of the salicylate-loaded ArCP from yersiniabactin synthetase
Published: 2015-09-21

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PDB ID: 2n6z
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25787
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of the salicylate-loaded ArCP from yersiniabactin synthetase PubMed: 26334259

Deposition date: 2015-08-31 Original release date: 2015-09-21

Authors: Goodrich, Andrew; Harden, Bradley; Frueh, Dominique

Citation: Goodrich, Andrew; Harden, Bradley; Frueh, Dominique. "The Solution Structure of a Nonribosomal Peptide Syn-thetase Carrier Protein Loaded with its Substrate Reveals Transient, Well-defined Contacts" J. Am. Chem. Soc. 137, 12100-12109 (2015).

Assembly members:
entity, polymer, 80 residues, 9869.335 Da.

Natural source: Common Name: enterobacteria Taxonomy ID: 632 Superkingdom: Bacteria Kingdom: not available Genus/species: yersinia pestis

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

Entity Sequences (FASTA):
entity: DNRHAADYQQLRERLIQELN LTPQQLHEESNLIQAGLDXI RLMRWLHWFRKNGYRLTLRE LYAAPTLAAWNQLMLSRSPE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	345
15N chemical shifts	81
1H chemical shifts	577

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	n15	isotropic	h2o
3D HNCO	c13_backbone	isotropic	h2o
3D HNCA	c13_backbone	isotropic	h2o
3D HNCACB	c13_backbone	isotropic	h2o
3D H(CCO)NH	c13_backbone	isotropic	h2o
3D HN(CA)CO	c13_backbone	isotropic	h2o
3D 1H-15N NOESY	n15	isotropic	h2o
2D 1H-13C HSQC	c13_backbone	isotropic	h2o
3D 1H-13C NOESY	c13_noesy	isotropic	d20

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	ASP	ASN	ARG	HIS	ALA	ALA	ASP	TYR	GLN	GLN
2	LEU	ARG	GLU	ARG	LEU	ILE	GLN	GLU	LEU	ASN
3	LEU	THR	PRO	GLN	GLN	LEU	HIS	GLU	GLU	SER
4	ASN	LEU	ILE	GLN	ALA	GLY	LEU	ASP	4HJ	ILE
5	ARG	LEU	MET	ARG	TRP	LEU	HIS	TRP	PHE	ARG
6	LYS	ASN	GLY	TYR	ARG	LEU	THR	LEU	ARG	GLU
7	LEU	TYR	ALA	ALA	PRO	THR	LEU	ALA	ALA	TRP
8	ASN	GLN	LEU	MET	LEU	SER	ARG	SER	PRO	GLU

Biological Magnetic Resonance Data Bank

BMRB Entry 25787

Title: Solution structure of the salicylate-loaded ArCP from yersiniabactin synthetase PubMed: 26334259

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	ASP	ASN	ARG	HIS	ALA	ALA	ASP	TYR	GLN	GLN
2	LEU	ARG	GLU	ARG	LEU	ILE	GLN	GLU	LEU	ASN
3	LEU	THR	PRO	GLN	GLN	LEU	HIS	GLU	GLU	SER
4	ASN	LEU	ILE	GLN	ALA	GLY	LEU	ASP	4HJ	ILE
5	ARG	LEU	MET	ARG	TRP	LEU	HIS	TRP	PHE	ARG
6	LYS	ASN	GLY	TYR	ARG	LEU	THR	LEU	ARG	GLU
7	LEU	TYR	ALA	ALA	PRO	THR	LEU	ALA	ALA	TRP
8	ASN	GLN	LEU	MET	LEU	SER	ARG	SER	PRO	GLU

1	ASP	ASN	ARG	HIS	ALA	ALA	ASP	TYR	GLN	GLN
2	LEU	ARG	GLU	ARG	LEU	ILE	GLN	GLU	LEU	ASN
3	LEU	THR	PRO	GLN	GLN	LEU	HIS	GLU	GLU	SER
4	ASN	LEU	ILE	GLN	ALA	GLY	LEU	ASP	4HJ	ILE
5	ARG	LEU	MET	ARG	TRP	LEU	HIS	TRP	PHE	ARG
6	LYS	ASN	GLY	TYR	ARG	LEU	THR	LEU	ARG	GLU
7	LEU	TYR	ALA	ALA	PRO	THR	LEU	ALA	ALA	TRP
8	ASN	GLN	LEU	MET	LEU	SER	ARG	SER	PRO	GLU

1	ASP	ASN	ARG	HIS	ALA	ALA	ASP	TYR	GLN	GLN
2	LEU	ARG	GLU	ARG	LEU	ILE	GLN	GLU	LEU	ASN
3	LEU	THR	PRO	GLN	GLN	LEU	HIS	GLU	GLU	SER
4	ASN	LEU	ILE	GLN	ALA	GLY	LEU	ASP	4HJ	ILE
5	ARG	LEU	MET	ARG	TRP	LEU	HIS	TRP	PHE	ARG
6	LYS	ASN	GLY	TYR	ARG	LEU	THR	LEU	ARG	GLU
7	LEU	TYR	ALA	ALA	PRO	THR	LEU	ALA	ALA	TRP
8	ASN	GLN	LEU	MET	LEU	SER	ARG	SER	PRO	GLU