BMRB Entry 15200

Name: NMR assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster
Published: 2007-08-23

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15200

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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:

NMR assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster

Deposition date:

2007-04-03

Original release date:

2007-08-23

Authors:

Pauleta, Sofia; Moura, Jose

Citation:

Citation: Pauleta, Sofia; Duarte, Americo; Carepo, Marta; Pereira, Alice; Tavares, Pedro; Moura, Isabel; Moura, Jose. "NMR assignment of the apo-form of a Desulfovibrio gigas protein containing a novel Mo-Cu cluster" Biomol. NMR Assignments 1, 81-83 (2007).
PubMed: 19636833

Assembly members:

Assembly members:
ApoORP, polymer, 120 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Desulfovibrio gigas Taxonomy ID: 879 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfovibrio gigas

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ApoORP: ASHMQRIAVTAEGPGLDGLV DPRFGRAAGFVVVDAATMAA EYVDNGASQTLSHGAGINAA QVLAKSGAGVLLTGYVGPKA FQALQAAGIKVGQDLEGLTV RQAVQRFLDGQVPMAAGPNK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	523
15N chemical shifts	135
1H chemical shifts	773

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1

Entities:

Entity 1, subunit 1 120 residues - Formula weight is not available

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

Samples:

sample_1: ApoORP, [U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 1 mM; D2O 10%

sample_2: ApoORP, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 1 mM; D2O 10%

sample_conditions_1: ionic strength: 120 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz

PDB	2WFB
EMBL	CAI59607
GB	AGW13746
REF	WP_021760641

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

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