BMRB Entry 6045

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PDB ID: 1s04
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6045
MolProbity Validation Chart

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein PF0455

Deposition date:

2003-12-12

Original release date:

2006-04-06

Authors:

Liu, Gaohua; Atreya, Hanndatta; Sukumaran, Dinesh; Xiao, Rong; Acton, Tom; Montelione, Gaetano; Szyperski, Thomas

Citation:

Citation: Liu, Gaohua; Atreya, Hanndatta; Sukumaran, Dinesh; Xiao, Rong; Acton, Tom; Montelione, Gaetano; Szyperski, Thomas. "Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein PF0455" J. Biomol. NMR ., .-..

Assembly members:

Assembly members:
Hypothetical protein PF0455, polymer, 110 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Pyrococcus furiosus Taxonomy ID: 2261 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Hypothetical protein PF0455: MEWEMGLQEEFLELIKLRKK KIEGRLYDEKRRQIKPGDVI SFEGGKLKVRVKAIRVYNSF REMLEKEGLENVLPGVKSIE EGIQVYRRFYDEEKEKKYGV VAIEIEPLEY

Data sets:

assigned_chemical_shifts
- shift_set_1
coupling_constants
- J_values_set_1

Data type	Count
13C chemical shifts	533
15N chemical shifts	117
1H chemical shifts	862
coupling constants	96

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pfr13 monomer	1

Entities:

Entity 1, pfr13 monomer 110 residues - Formula weight is not available

1	MET	GLU	TRP	GLU	MET	GLY	LEU	GLN	GLU	GLU
2	PHE	LEU	GLU	LEU	ILE	LYS	LEU	ARG	LYS	LYS
3	LYS	ILE	GLU	GLY	ARG	LEU	TYR	ASP	GLU	LYS
4	ARG	ARG	GLN	ILE	LYS	PRO	GLY	ASP	VAL	ILE
5	SER	PHE	GLU	GLY	GLY	LYS	LEU	LYS	VAL	ARG
6	VAL	LYS	ALA	ILE	ARG	VAL	TYR	ASN	SER	PHE
7	ARG	GLU	MET	LEU	GLU	LYS	GLU	GLY	LEU	GLU
8	ASN	VAL	LEU	PRO	GLY	VAL	LYS	SER	ILE	GLU
9	GLU	GLY	ILE	GLN	VAL	TYR	ARG	ARG	PHE	TYR
10	ASP	GLU	GLU	LYS	GLU	LYS	LYS	TYR	GLY	VAL
11	VAL	ALA	ILE	GLU	ILE	GLU	PRO	LEU	GLU	TYR

Samples:

sample_1: Hypothetical protein PF0455 1.0 mM

Ex-cond_1: pH: 6.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
GFT (4,3)D HNNCACBCA	not available	not available	not available
GFT (4,3)D HNN(CO)CACBCA	not available	not available	not available
HNCO	not available	not available	not available
3D RD HCCHCOSY	not available	not available	not available

Software:

No software information available

NMR spectrometers:

unknown unknown 0 MHz

PDB	1S04
GB	AAL80579 AFN03249
REF	NP_578184 WP_011011572 YP_006491541

1	MET	GLU	TRP	GLU	MET	GLY	LEU	GLN	GLU	GLU
2	PHE	LEU	GLU	LEU	ILE	LYS	LEU	ARG	LYS	LYS
3	LYS	ILE	GLU	GLY	ARG	LEU	TYR	ASP	GLU	LYS
4	ARG	ARG	GLN	ILE	LYS	PRO	GLY	ASP	VAL	ILE
5	SER	PHE	GLU	GLY	GLY	LYS	LEU	LYS	VAL	ARG
6	VAL	LYS	ALA	ILE	ARG	VAL	TYR	ASN	SER	PHE
7	ARG	GLU	MET	LEU	GLU	LYS	GLU	GLY	LEU	GLU
8	ASN	VAL	LEU	PRO	GLY	VAL	LYS	SER	ILE	GLU
9	GLU	GLY	ILE	GLN	VAL	TYR	ARG	ARG	PHE	TYR
10	ASP	GLU	GLU	LYS	GLU	LYS	LYS	TYR	GLY	VAL
11	VAL	ALA	ILE	GLU	ILE	GLU	PRO	LEU	GLU	TYR

1	MET	GLU	TRP	GLU	MET	GLY	LEU	GLN	GLU	GLU
2	PHE	LEU	GLU	LEU	ILE	LYS	LEU	ARG	LYS	LYS
3	LYS	ILE	GLU	GLY	ARG	LEU	TYR	ASP	GLU	LYS
4	ARG	ARG	GLN	ILE	LYS	PRO	GLY	ASP	VAL	ILE
5	SER	PHE	GLU	GLY	GLY	LYS	LEU	LYS	VAL	ARG
6	VAL	LYS	ALA	ILE	ARG	VAL	TYR	ASN	SER	PHE
7	ARG	GLU	MET	LEU	GLU	LYS	GLU	GLY	LEU	GLU
8	ASN	VAL	LEU	PRO	GLY	VAL	LYS	SER	ILE	GLU
9	GLU	GLY	ILE	GLN	VAL	TYR	ARG	ARG	PHE	TYR
10	ASP	GLU	GLU	LYS	GLU	LYS	LYS	TYR	GLY	VAL
11	VAL	ALA	ILE	GLU	ILE	GLU	PRO	LEU	GLU	TYR