BMRB Entry 7227

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PDB ID: 2hfi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7227
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:

Solution nmr structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213

Deposition date:

2006-07-14

Original release date:

2010-08-25

Authors:

Liu, G.; Singarapu, K.; Parish, D.; Eletsky, A.; Xu, D.; Sukumaran, D.; Ho, C.; Fang, Y.; Cunningham, K.; Ma, L.-C.; Xiao, R.; Liu, J.; Baran, M.; Swapna, G.; Acton, T.; Rost, B.; Montelione, G.; Szyperski, T.

Citation:

Citation: Liu, G.; Singarapu, K.; Parish, D.; Eletsky, A.; Sukumaran, D.; Xu, D.; Ho, C.; Fang, Y.; Cunningham, K.; Ma, L.-C.; Xiao, R.; Liu, J.; Baran, M.; Swapna, G.; Acton, T.; Rost, B.; Montelione, G.; Szyperski, T.. "Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213" .

Assembly members:

Assembly members:
Hypothetical protein yppE, polymer, 131 residues, 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 Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Hypothetical protein yppE: MLSQTLLEMTEQMIEVAEKG ADRYQEGKNSNHSYDFFETI KPAVEENDELAARWAEGALE LIKVRRPKYVHKEQIEAVKD NFLELVLQSYVHHIHKKRFK DITESVLYTLHAVKDEIARE DSRLEHHHHHH

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	387
15N chemical shifts	101
1H chemical shifts	814

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Hypothetical protein yppE	1

Entities:

Entity 1, Hypothetical protein yppE 131 residues - Formula weight is not available

1

MET

LEU

SER

GLN

THR

LEU

GLU

MET

THR

2

GLU

GLN

MET

ILE

GLU

VAL

ALA

GLU

LYS

GLY

3

ALA

ASP

ARG

TYR

GLN

GLU

GLY

LYS

ASN

SER

4

ASN

HIS

SER

TYR

ASP

PHE

GLU

THR

ILE

5

LYS

PRO

ALA

VAL

GLU

ASN

ASP

GLU

LEU

6

ALA

ARG

TRP

ALA

GLU

GLY

ALA

LEU

GLU

7

LEU

ILE

LYS

VAL

ARG

PRO

LYS

TYR

VAL

8

HIS

LYS

GLU

GLN

ILE

GLU

ALA

VAL

LYS

ASP

9

ASN

PHE

LEU

GLU

LEU

VAL

LEU

GLN

SER

TYR

10

VAL

HIS

ILE

HIS

LYS

ARG

PHE

LYS

11

ASP

ILE

THR

GLU

SER

VAL

LEU

TYR

THR

LEU

12

HIS

ALA

VAL

LYS

ASP

GLU

ILE

ALA

ARG

GLU

13

ASP

SER

ARG

LEU

GLU

HIS

14

HIS

Samples:

sample_1: Hypothetical protein yppE 0.94 mM; Arginine 50 mM; DTT 10 mM; Bis Tris 50 mM; H2O 95%; D2O 5%

sample_cond_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY	sample_1	not available	sample_cond_1
GFT (4,3)D HNNCABCA	sample_1	not available	sample_cond_1
GFT (4,3)D CABCA(CO)NHN	sample_1	not available	sample_cond_1
GFT (4,3) HCCH	sample_1	not available	sample_cond_1
HNCACB	sample_1	not available	sample_cond_1
HABcoNH	sample_1	not available	sample_cond_1

Software:

VNMR vc - collection

NMRPipe v2.3 - processing

XEASY v1.3.1.3 - data analysis

CYANA v2.1 - structure solution

AutoStruct v2.0 - data analysis

CNS v1.1 - refinement

NMR spectrometers:

Bruker AVANCE 800 MHz

BMRB	16113
PDB	2HFI 2IM8
DBJ	BAI85724 BAM52709 BAM58284 GAK79397
EMBL	CAB14144 CCU58728 CEI57439 CEJ77864
GB	AAB38463 ADV92956 AEP91245 AFQ58175 AGA23534
REF	NP_390109 WP_003246080 WP_009969441 WP_015383943 WP_015483369
SP	P50833
AlphaFold	P50833