BMRB Entry 4603

Name: Tertiary structure of apo-D-alanyl carrier protein
Published: 2001-07-30

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4603

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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: Tertiary structure of apo-D-alanyl carrier protein

Deposition date: 2000-05-05 Original release date: 2001-07-30

Authors: Volkman, B.; Zhang, Q.; Debabov, D.; Rivera, E.; Kresheck, G.; Neuhaus, F.

Citation: Volkman, B.; Zhang, Q.; Debabov, D.; Rivera, E.; Kresheck, G.; Neuhaus, F.. "Biosynthesis of D-alanyl-lipoteichoic acid: the tertiary structure of apo-D-alanyl carrier protein" Biochemistry 40, 7964-7972 (2001).

Assembly members:
APO-D-ALANYL CARRIER PROTEIN, polymer, 80 residues, Formula weight is not available

Natural source: Common Name: Lactobacillus casei Taxonomy ID: 1582 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactobacillus casei

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

Entity Sequences (FASTA):
APO-D-ALANYL CARRIER PROTEIN: ADEAIKNGVLDILADLTGSD DVKKNLDLNLFETGLLDSMG TVQLLLELQSQFGVDAPVSE FDRKEWDTPNKIIAKVEQAQ

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	584
13C chemical shifts	349
15N chemical shifts	88

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apo-D-alanyl carrier protein	1

Entities:

Entity 1, apo-D-alanyl carrier protein 80 residues - Formula weight is not available

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

Samples:

sample_1: APO-D-ALANYL CARRIER PROTEIN, [U-15N], 1.2 mM; phosphate 50 mM; H2O 90%; D2O 10%

sample_2: APO-D-ALANYL CARRIER PROTEIN, [U-15N; U-13C], 1.8 mM; phosphate 50 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 5.8; temperature: 298 K; ionic strength: 50 mM

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	not available	not available	sample_cond_1
3D 13C-separated NOESY	not available	not available	sample_cond_1
2D 15N-filtered NOESY	not available	not available	sample_cond_1

Software:

FELIX v95 - data processing

NMRPipe - data processing

DYANA v1.5 - data refinement

XWINNMR v2.3 - data collection

XEASY v1.3 - data analysis

NMR spectrometers:

Bruker DMX 600 MHz

PDB	1DV5 1HQB
DBJ	BAI41283
EMBL	CAR86674 CAR89613 CDN21838
GB	AAB17659 AAF09203 ABI85297 AER63614 AGP70576
REF	WP_005685531 WP_047677124
SP	P55153

Biological Magnetic Resonance Data Bank