BMRB Entry 18005

Name: TBA
Published: 2011-11-02

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PDB ID: 4a4e
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18005
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:

TBA

Deposition date:

2011-10-18

Original release date:

2011-11-02

Authors:

Tripsianes, Konstantinos; Madl, T.; Machyna, M.; Fessas, D.; Englbrecht, C.; Neugebauer, U.; Sattler, M.

Citation:

Citation: Tripsianes, Konstantinos; Madl, T.; Machyna, M.; Fessas, D.; Englbrecht, C.; Fischer, U.; Neugebauer, K.; Sattler, M.. "Structural basis for dimethylarginine recognition by the Tudor domains of human SMN and SPF30 proteins" Nat. Struct. Mol. Biol. 18, 1414-1420 (2011).
PubMed: 22101937

Assembly members:

Assembly members:
A, polymer, 64 residues, 7084.873 Da.
2MR, non-polymer, 202.254 Da.

Natural source:

Natural source: Common Name: HUMAN Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: HOMO SAPIENS

Experimental source:

Experimental source: Production method: recombinant technology Host organism: ESCHERICHIA COLI Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
A: NTAASLQQWKVGDKCSAIWS EDGCIYPATIASIDFKRETC VVVYTGYGNREEQNLSDLLS PICE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	211
15N chemical shifts	68
1H chemical shifts	452

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	protein	1
2	N3,_N4-DIMETHYLARGININE	2

Entities:

Entity 1, protein 64 residues - 7084.873 Da.

1

ASN

THR

ALA

SER

LEU

GLN

TRP

LYS

2

VAL

GLY

ASP

LYS

CYS

SER

ALA

ILE

TRP

SER

3

GLU

ASP

GLY

CYS

ILE

TYR

PRO

ALA

THR

ILE

4

ALA

SER

ILE

ASP

PHE

LYS

ARG

GLU

THR

CYS

5

VAL

TYR

THR

GLY

TYR

GLY

ASN

ARG

6

GLU

GLN

ASN

LEU

SER

ASP

LEU

SER

7

PRO

ILE

CYS

GLU

Entity 2, N3,_N4-DIMETHYLARGININE - C8 H18 N4 O2 - 202.254 Da.

1

2MR

Samples:

sample_new_1: SMN, [U-13C; U-15N], 4 mM; 2MR 18 mM; H2O 93%; D2O 7%

sample_conditions_new_1: ionic strength: 50.000 mM; pH: 6.5; pressure: 1.000 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N-EDITED 3D NOESY F1 15N/13C FILTERED	sample_new_1	solution	sample_conditions_new_1
15N-EDITED 3D NOESY	sample_new_1	solution	sample_conditions_new_1
13C-EDITED 3D NOESY (ALIPHATICSS) F1 15N/13C FILTERED	sample_new_1	solution	sample_conditions_new_1
13C-EDITED 3D NOESY (ALIPHATICS)	sample_new_1	solution	sample_conditions_new_1
13C-EDITED 3D NOESY (AROMATICS) F1 15N/13C FILTERED	sample_new_1	solution	sample_conditions_new_1
13C-EDITED 3D NOESY (AROMATICS)	sample_new_1	solution	sample_conditions_new_1

Software:

AutoDep v4.3, AutoDep - chemical shift assignment

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

CYANA vany, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

ANALYSIS v2.1, CCPN - chemical shift assignment

TALOS vany, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

BRUKER AVANCE 750 MHz

UNP	SMN_HUMAN
BMRB	18007
PDB	1G5V 1MHN 4A4E 4A4G 4NL6 4NL7 4QQ6
DBJ	BAF82358 BAJ21116
EMBL	CAH89989
GB	AAA64505 AAA66242 AAC50473 AAC52048 AAC62262
PRF	2208336A
REF	NP_000335 NP_001124942 NP_001284644 NP_059107 NP_075012
SP	Q16637 Q5RE18
AlphaFold	Q96J51 Q16637 Q5RE18