BMRB Entry 7228

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PDB ID: 2hi6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: LACS
BMRB Entry DOI: doi:10.13018/BMR7228
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 UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)

Deposition date:

2006-07-14

Original release date:

2010-03-04

Authors:

Liu, G.; Atreya, H.; Xu, D.; Sukumaran, D.; Chen, C.; Janjua, H.; 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.; Atreya, H.; Xu, D.; Sukumaran, D.; Chen, C.; Janjua, H.; 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 UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)" .

Assembly members:

Assembly members:
UPF0107 protein AF0055, polymer, 141 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Archaeoglobus fulgidus Taxonomy ID: 2234 Superkingdom: Archaea Kingdom: not available Genus/species: Archaeoglobus fulgidus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
UPF0107 protein AF0055: MVKFACRAITRGRAEGEALV TKEYISFLGGIDKETGIVKE DCEIKGESVAGRILVFPGGK GSTVGSYVLLNLRKNGVAPK AIINKKTETIIAVGAAMAEI PLVEVRDEKFFEAVKTGDRV VVNADEGYVELIELEHHHHH H

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	454
15N chemical shifts	140
1H chemical shifts	979

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	UPF0107 protein AF0055	1

Entities:

Entity 1, UPF0107 protein AF0055 141 residues - Formula weight is not available

1

MET

VAL

LYS

PHE

ALA

CYS

ARG

ALA

ILE

THR

2

ARG

GLY

ARG

ALA

GLU

GLY

GLU

ALA

LEU

VAL

3

THR

LYS

GLU

TYR

ILE

SER

PHE

LEU

GLY

4

ILE

ASP

LYS

GLU

THR

GLY

ILE

VAL

LYS

GLU

5

ASP

CYS

GLU

ILE

LYS

GLY

GLU

SER

VAL

ALA

6

GLY

ARG

ILE

LEU

VAL

PHE

PRO

GLY

LYS

7

GLY

SER

THR

VAL

GLY

SER

TYR

VAL

LEU

8

ASN

LEU

ARG

LYS

ASN

GLY

VAL

ALA

PRO

LYS

9

ALA

ILE

ASN

LYS

THR

GLU

THR

ILE

10

ILE

ALA

VAL

GLY

ALA

MET

ALA

GLU

ILE

11

PRO

LEU

VAL

GLU

VAL

ARG

ASP

GLU

LYS

PHE

12

PHE

GLU

ALA

VAL

LYS

THR

GLY

ASP

ARG

VAL

13

VAL

ASN

ALA

ASP

GLU

GLY

TYR

VAL

GLU

14

LEU

ILE

GLU

LEU

GLU

HIS

15

HIS

Samples:

sample_1: UPF0107 protein AF0055, [U-15N; U-13C], 1.2 mM; CaCl25 – 5.5 mM; NaCl 100 mM; NH4OAc 20 mM; DTT 10 mM; NaN3 0.02%; D2O 5%; H2O 95%

sample_cond_1: pH: 5.5; 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)D HABCAB(CO)NHN	sample_1	not available	sample_cond_1
GFT (4,3)D HCCH	sample_1	not available	sample_cond_1

Software:

VNMR v6.1c - collection

NMRPipe v2.3 - processing

AutoAssign v1.15.1 - data analysis

AutoStruct v2.0 - data analysis

CYANA v2.1 - structure solution

CNS v1.1 - refinement

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2HI6
GB	AAB91166 AIG96894
REF	NP_068896 WP_010877569
SP	O30181
AlphaFold	O30181