BMRB Entry 6599

Name: Solution Structure of Bacillus subtilis s-BCCP holo-form
Published: 2007-01-26

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PDB ID: 1z6h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6599
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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:

Solution Structure of Bacillus subtilis s-BCCP holo-form

Deposition date:

2005-04-14

Original release date:

2007-01-26

Authors:

Cui, Gaofeng; Xia, Bin

Citation:

Citation: Cui, Gaofeng; Nan, Beiyan; Hu, Jicheng; Wang, Yiping; Jin, Changwen; Xia, Bin. "Identification and solution structures of a single-domain biotin/lipoyl attachment protein from bacillus subtilis" J. Biol. Chem. 281, 20598-20607 (2006).
PubMed: 16699181

Assembly members:

Assembly members:
Biotin Carboxyl Carrier Protein, polymer, 72 residues, Formula weight is not available
5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, non-polymer, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Biotin Carboxyl Carrier Protein: TVSIQMAGNLWKVHVKAGDQ IEKGQEVAILESMKMEIPIV ADRSGIVKEVKKKEGDFVNE GDVLLELSNSTQ

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	544
13C chemical shifts	314
15N chemical shifts	77

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Biotin Carboxyl Carrier Protein	1
2	5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL	2

Entities:

Entity 1, Biotin Carboxyl Carrier Protein 72 residues - Formula weight is not available

1

THR

VAL

SER

ILE

GLN

MET

ALA

GLY

ASN

LEU

2

TRP

LYS

VAL

HIS

VAL

LYS

ALA

GLY

ASP

GLN

3

ILE

GLU

LYS

GLY

GLN

GLU

VAL

ALA

ILE

LEU

4

GLU

SER

MET

LYS

MET

GLU

ILE

PRO

ILE

VAL

5

ALA

ASP

ARG

SER

GLY

ILE

VAL

LYS

GLU

VAL

6

LYS

GLU

GLY

ASP

PHE

VAL

ASN

GLU

7

GLY

ASP

VAL

LEU

GLU

LEU

SER

ASN

SER

8

THR

GLN

Entity 2, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL 1 residues - C6 H12 O1 - Formula weight is not available

1

BTI

Samples:

sample_1: Biotin Carboxyl Carrier Protein, [U-13C; U-15N], 1.2 mM; phosphate buffer 50 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 7.0; temperature: 298 K; ionic strength: 150 mM; pressure: 1 atm

Experiments:

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

Software:

XWINNMR v3.5 - collection

NMRPipe v2.1 - processing

NMRView v5 - data analysis

CYANA v1.0.6 - structure solution

AMBER v7.0 - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz

BMRB	6600
PDB	1Z6H 1Z7T 2B8F 2B8G
DBJ	BAI85513 BAM52478 BAM58054 GAK81515
EMBL	CAX52627 CEI57017 CEJ77441
GB	ADV92730 AEP91001 AFQ57759 AGE63668 AGG61199
REF	WP_003245519 WP_014476962 WP_014479957 WP_015383786 WP_031600576
SP	C0H419
AlphaFold	C0H419