BMRB Entry 25786

Name: Solution structure of holo ArCP from yersiniabactin synthetase
Published: 2015-09-21

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PDB ID: 2n6y
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25786
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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 holo 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, 9942.206 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	371
15N chemical shifts	81
1H chemical shifts	580

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	isotropic	h2o
3D HNCA	c13	isotropic	h2o
3D HN(CO)CA	c13	isotropic	h2o
3D H(CCO)NH	c13	isotropic	h2o
3D HNCACB	c13	isotropic	h2o
3D 1H-15N NOESY	n15	isotropic	h2o
2D 1H-13C HSQC	c13	isotropic	h2o
3D 1H-13C NOESY	c13	isotropic	d2o

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	4HH	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 25786

Title: Solution structure of holo 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	4HH	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	4HH	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	4HH	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