BMRB Entry 16690

Name: Backbone 1H, 13C and 15N chemical shift assignments for the prolyl isomerase Ess1 from Candida albicans
Published: 2010-05-05

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16690

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone 1H, 13C and 15N chemical shift assignments for the prolyl isomerase Ess1 from Candida albicans PubMed: 20304107

Deposition date: 2010-01-22 Original release date: 2010-05-05

Authors: McNaughton, Lynn; Li, Zhong; Van Roey, Patrick; Hanes, Steven; LeMaster, David

Citation: McNaughton, Lynn; Li, Zhong; Van Roey, Patrick; Hanes, Steven; Lemaster, David. "Restricted domain mobility in the Candida albicans Ess1 prolyl isomerase." Biochim. Biophys. Acta 1804, 1537-1541 (2010).

Assembly members:
C. albicans Ess1 prolyl isomerase, polymer, 180 residues, 19855 Da.

Natural source: Common Name: Candida albicans Taxonomy ID: 5476 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Candida albicans

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

Entity Sequences (FASTA):
C. albicans Ess1 prolyl isomerase: GSHMASTSTGLPPNWTIRVS RSHNKEYFLNQSTNESSWDP PYGTDKEVLNAYIAKFKNNG YKPLVNEDGQVRVSHLLIKN NQSRKPKSWKSPDGISRTRD ESIQILKKHLERILSGEVKL SELANTESDCSSHDRGGDLG FFSKGQMQPPFEEAAFNLHV GEVSNIIETNSGVHILQRTG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	498
15N chemical shifts	165
1H chemical shifts	165

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C. albicans Ess1 prolyl isomerase	1

Entities:

Entity 1, C. albicans Ess1 prolyl isomerase 180 residues - 19855 Da.

The first three residues correspond to the residual sequence from the thrombin cleavage site

1	GLY	SER	HIS	MET	ALA	SER	THR	SER	THR	GLY
2	LEU	PRO	PRO	ASN	TRP	THR	ILE	ARG	VAL	SER
3	ARG	SER	HIS	ASN	LYS	GLU	TYR	PHE	LEU	ASN
4	GLN	SER	THR	ASN	GLU	SER	SER	TRP	ASP	PRO
5	PRO	TYR	GLY	THR	ASP	LYS	GLU	VAL	LEU	ASN
6	ALA	TYR	ILE	ALA	LYS	PHE	LYS	ASN	ASN	GLY
7	TYR	LYS	PRO	LEU	VAL	ASN	GLU	ASP	GLY	GLN
8	VAL	ARG	VAL	SER	HIS	LEU	LEU	ILE	LYS	ASN
9	ASN	GLN	SER	ARG	LYS	PRO	LYS	SER	TRP	LYS
10	SER	PRO	ASP	GLY	ILE	SER	ARG	THR	ARG	ASP
11	GLU	SER	ILE	GLN	ILE	LEU	LYS	LYS	HIS	LEU
12	GLU	ARG	ILE	LEU	SER	GLY	GLU	VAL	LYS	LEU
13	SER	GLU	LEU	ALA	ASN	THR	GLU	SER	ASP	CYS
14	SER	SER	HIS	ASP	ARG	GLY	GLY	ASP	LEU	GLY
15	PHE	PHE	SER	LYS	GLY	GLN	MET	GLN	PRO	PRO
16	PHE	GLU	GLU	ALA	ALA	PHE	ASN	LEU	HIS	VAL
17	GLY	GLU	VAL	SER	ASN	ILE	ILE	GLU	THR	ASN
18	SER	GLY	VAL	HIS	ILE	LEU	GLN	ARG	THR	GLY

Samples:

sample_1: C. albicans Ess1 prolyl isomerase, [U-13C; U-15N], 0.5 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 HNCACB	sample_1	isotropic	sample_conditions_1

Software:

FELIX v2000, Accelrys Software Inc. - processing

NMR spectrometers:

Bruker Avance 800 MHz

PDB	1YW5
EMBL	CAX44676
GB	AAK00626 EAK91142 EAK91153 EEQ42732 KGQ91706
REF	XP_002417086 XP_710404 XP_710415

Biological Magnetic Resonance Data Bank