BMRB Entry 5798

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PDB ID: 1ny8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5798
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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 Protein yrbA from Escherichia Coli: Northeast Structural Genomics Consortium target ER115

Deposition date:

2003-05-16

Original release date:

2006-04-06

Authors:

Gurla, S.; Huang, J.; Acton, T.; Shastry, R.; Chiang, Y.-W.; Montelione, G.

Citation:

Citation: Gurla, S.; Huang, J.; Acton, T.; Shastry, R.; Chiang, Y.-W.; Montelione, G.. "Solution structure of Protein yrbA from Escherichia Coli: Northeast Structural Genomics Consortium target ER115 " .

Assembly members:

Assembly members:
yrbA, polymer, 97 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
yrbA: MIEDPMENNEIQSVLMNALS LQEVHVSGDGSHFQVIAVGE LFDGMSRVKKQQTVYGPLME YIADNRIHAVSIKAYTPAEW ARDRKLNGFLEHHHHHH

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	656
13C chemical shifts	384
15N chemical shifts	99

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	yrbA	1

Entities:

Entity 1, yrbA 97 residues - Formula weight is not available

1

MET

ILE

GLU

ASP

PRO

MET

GLU

ASN

GLU

2

ILE

GLN

SER

VAL

LEU

MET

ASN

ALA

LEU

SER

3

LEU

GLN

GLU

VAL

HIS

VAL

SER

GLY

ASP

GLY

4

SER

HIS

PHE

GLN

VAL

ILE

ALA

VAL

GLY

GLU

5

LEU

PHE

ASP

GLY

MET

SER

ARG

VAL

LYS

6

GLN

THR

VAL

TYR

GLY

PRO

LEU

MET

GLU

7

TYR

ILE

ALA

ASP

ASN

ARG

ILE

HIS

ALA

VAL

8

SER

ILE

LYS

ALA

TYR

THR

PRO

ALA

GLU

TRP

9

ALA

ARG

ASP

ARG

LYS

LEU

ASN

GLY

PHE

LEU

10

GLU

HIS

Samples:

sample_1: yrbA, [U-13C; U-15N], 0.8 mM; NH4OAc 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; azide 0.02%; H2O 95%; D2O 5%

sample_cond_1: pH: 5.5; temperature: 298 K; ionic strength: 100 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

Software:

VNMR v6.1B - collection

NMRPipe v2.1 - processing

SPARKY v3.106 - data analysis

AUTOASSIGN v1.9 - data analysis

AUTOSTRUCTURE v1.1.2 - data analysis

HYPER v3.2 - structure solution

DYANA v1.5 - refinement

NMR spectrometers:

Varian INOVA 600 MHz

PDB	1NY8
DBJ	BAB37492 BAE77234 BAG78998 BAI27468 BAI32647
EMBL	CAP77650 CAQ33523 CAQ90660 CAR00152 CAR04800
GB	AAA57991 AAC76222 AAF21251 AAG58324 AAN44696
REF	NP_289764 NP_312096 NP_417657 NP_708989 NP_755814
SP	P0A9W6 P0A9W7 P0A9W8
AlphaFold	P0A9W6 P0A9W7 P0A9W8