BMRB Entry 19685

Name: RRM3 intermediate state
Published: 2014-12-15

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PDB ID: 2my7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19685
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: RRM3 intermediate state

Deposition date: 2013-12-14 Original release date: 2014-12-15

Authors: Bhatt, Harshesh; Kaushik, Abhinav; Gupta, Dinesh; Bhavesh, Neel Sarovar

Citation: Bhatt, Harshesh; Kaushik, Abhinav; Gupta, Dinesh; Bhavesh, Neel Sarovar. "RRM3 intermediate state" Not known ., .-..

Assembly members:
entity, polymer, 97 residues, 10930.638 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity: GSHMQKEGPEGANLFIYHLP QEFGDQDILQMFMPFGNVIS AKVFIDKQTNLSKCFGFVSY DNPVSAQAAIQAMNGFQIGM KRLKVQLKRSKNDSKPY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	396
15N chemical shifts	107
1H chemical shifts	560

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RRM3 intermediate state	1

Entities:

Entity 1, RRM3 intermediate state 97 residues - 10930.638 Da.

1

GLY

SER

HIS

MET

GLN

LYS

GLU

GLY

PRO

GLU

2

GLY

ALA

ASN

LEU

PHE

ILE

TYR

HIS

LEU

PRO

3

GLN

GLU

PHE

GLY

ASP

GLN

ASP

ILE

LEU

GLN

4

MET

PHE

MET

PRO

PHE

GLY

ASN

VAL

ILE

SER

5

ALA

LYS

VAL

PHE

ILE

ASP

LYS

GLN

THR

ASN

6

LEU

SER

LYS

CYS

PHE

GLY

PHE

VAL

SER

TYR

7

ASP

ASN

PRO

VAL

SER

ALA

GLN

ALA

ILE

8

GLN

ALA

MET

ASN

GLY

PHE

GLN

ILE

GLY

MET

9

LYS

ARG

LEU

LYS

VAL

GLN

LEU

LYS

ARG

SER

10

LYS

ASN

ASP

SER

LYS

PRO

TYR

Samples:

sample_1: RRM3 intermediate state, [U-99% 13C; U-99% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%; sodium chloride 50 mM; sodium phosphate 20 mM; urea 6 M

sample_2: RRM3 intermediate state, [U-99% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%; sodium chloride 50 mM; sodium phosphate 20 mM; urea 6 M

sample_conditions_1: ionic strength: 0.02 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift calculation, structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 700 MHz

BMRB	16884
PDB	2MY7 2MY8 4LJM
DBJ	BAE36341 BAG58428 BAG59778 BAG63913
EMBL	CAF96701 CDQ91280
GB	AAF89096 AAH45035 AAI36077 AAP57761 AAP57762
REF	NP_001079593 NP_001096417 NP_001279263 XP_004574118 XP_004574119
SP	A4IIM2 Q7T2T1 Q7ZXE2

Biological Magnetic Resonance Data Bank