BMRB Entry 19065

Name: ADAPT-NMR automated assignments and manual assignments of RNaseA
Published: 2014-04-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19065

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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:

ADAPT-NMR automated assignments and manual assignments of RNaseA

Deposition date:

2013-02-28

Original release date:

2014-04-16

Authors:

Tonelli, Marco; Eller, Chelcie; Bahrami, Arash; Singarapu, Kiran; Westler, William; Raines, Ronald; Markley, John

Citation:

Citation: Tonelli, Marco; Eller, Chelcie; Singarapu, Kiran; Lee, Woonghee; Bahrami, Arash; Westler, William; Raines, Ronald; Markley, John. "Assignments of RNase A by ADAPT-NMR and enhancer." Biomol. NMR Assignments ., .-. (2014).
PubMed: 24619609

Assembly members:

Assembly members:
RnaseA, polymer, 124 residues, Formula weight is not available

Natural source:

Natural source: Common Name: cattle Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pHP-RNase

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RnaseA: KETAAAKFERQHMDSSTSAA SSSNYCNQMMKSRNLTKDRC KPVNTFVHESLADVQAVCSQ KNVACKNGQTNCYQSYSTMS ITDCRETGSSKYPNCAYKTT QANKHIIVACEGNPYVPVHF DASV

Data sets:

assigned_chemical_shifts
- ADAPT_35C

Data type	Count
15N chemical shifts	116
1H chemical shifts	116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RNaseA	1

Entities:

Entity 1, RNaseA 124 residues - Formula weight is not available

1

LYS

GLU

THR

ALA

LYS

PHE

GLU

ARG

2

GLN

HIS

MET

ASP

SER

THR

SER

ALA

3

SER

ASN

TYR

CYS

ASN

GLN

MET

4

LYS

SER

ARG

ASN

LEU

THR

LYS

ASP

ARG

CYS

5

LYS

PRO

VAL

ASN

THR

PHE

VAL

HIS

GLU

SER

6

LEU

ALA

ASP

VAL

GLN

ALA

VAL

CYS

SER

GLN

7

LYS

ASN

VAL

ALA

CYS

LYS

ASN

GLY

GLN

THR

8

ASN

CYS

TYR

GLN

SER

TYR

SER

THR

MET

SER

9

ILE

THR

ASP

CYS

ARG

GLU

THR

GLY

SER

10

LYS

TYR

PRO

ASN

CYS

ALA

TYR

LYS

THR

11

GLN

ALA

ASN

LYS

HIS

ILE

VAL

ALA

CYS

12

GLU

GLY

ASN

PRO

TYR

VAL

PRO

VAL

HIS

PHE

13

ASP

ALA

SER

VAL

Samples:

sample_1: RnaseA, [U-100% 13C; U-100% 15N], 1.7 mM; potassium phosphate 100 mM; D2O 10%; H2O 100%

sample_conditions_1: ionic strength: 100 mM; pH: 4.7; temperature: 308 K

sample_conditions_2: ionic strength: 100 mM; pH: 4.7; temperature: 308 K

sample_conditions_3: ionic strength: 100 mM; pH: 4.7; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_2
3D HNCO	sample_1	isotropic	sample_conditions_3
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_3
3D HN(CA)CO	sample_1	isotropic	sample_conditions_3
3D HN(CO)CA	sample_1	isotropic	sample_conditions_3
3D HNCA	sample_1	isotropic	sample_conditions_3
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_3
3D HN(CA)CB	sample_1	isotropic	sample_conditions_3

Software:

No software information available

NMR spectrometers:

Varian DirectDrive 600 MHz
Varian DirectDrive 900 MHz

Related Database Links:

BMRB	1072 16010 16011 16503 16742 17099 17172 2928 385 4031 4032 443
PDB	1A2W 1A5P 1A5Q 1AFK 1AFL 1AFU 1AQP 1BEL 1BZQ 1C0B 1C0C 1C8W 1C9V 1C9X 1CJQ 1CJR 1D5D 1D5E 1D5H 1DFJ 1DY5 1EIC 1EID 1EIE 1EOS 1EOW 1F0V 1FEV 1FS3 1IZP 1IZQ 1IZR 1J7Z 1J80 1J81 1J82 1JN4 1JS0 1JVT 1JVU 1JVV 1KF2 1KF3 1KF4 1KF5 1KF7 1KF8 1KH8 1LSQ 1O0F 1O0H 1O0M 1O0N 1O0O 1QHC 1RAR 1RAS 1RAT 1RBB 1RBC 1RBD 1RBE 1RBF 1RBG 1RBH 1RBI 1RBJ 1RBN 1RBW 1RBX 1RCA 1RCN 1RHA 1RHB 1RNC 1RND 1RNM 1RNN 1RNO 1RNQ 1RNU 1RNV 1RNW 1RNX 1RNY 1RNZ 1ROB 1RPF 1RPG 1RPH 1RSM 1RTA 1RTB 1RUV 1SRN 1SSA 1SSB 1SSC 1U1B 1W4O 1W4P 1W4Q 1WBU 1XPS 1XPT 1YMN 1YMR 1YMW 1Z3L 1Z3M 1Z3P 1Z6D 1Z6S 2AAS 2BLP 2BLZ 2E33 2E3W 2G4W 2G4X 2G8Q 2G8R 2NUI 2OP2 2OQF 2P42 2P43 2P44 2P45 2P46 2P47 2P48 2P49 2P4A 2QCA 2RAT 2RLN 2RNS 2W5G 2W5I 2W5K 2W5L 2W5M 2XOG 2XOI 3A1R 3D6O 3D6P 3D6Q 3D7B 3D8Y 3D8Z 3DH5 3DH6 3DI7 3DI8 3DI9 3DIB 3DIC 3DXG 3DXH 3EUX 3EUY 3EUZ 3EV0 3EV1 3EV2 3EV3 3EV4 3EV5 3EV6 3FL0 3I67 3I6F 3I6H 3I6J 3I7W 3I7X 3I7Y 3JW1 3LXO 3MWQ 3MWR 3MX8 3MZQ 3MZR 3OQY 3OQZ 3OR0 3QL1 3QL2 3QSK 3RAT 3RH1 3RID 3RN3 3RSD 3RSK 3RSP 3SRN 4AO1 4G8V 4G8Y 4G90 4J5Z 4J60 4J61 4J62 4J63 4J64 4J65 4J66 4J67 4J68 4J69 4J6A 4K7L 4L55 4MXF 4O36 4O37 4OKF 4OOH 4OT4 4PEQ 4POU 4QH3 4RAT 4RSD 4RSK 4RTE 4SRN 4YGW 5RAT 5RSA 6RAT 6RSA 7RAT 7RSA 8RAT 8RSA 9RAT 9RSA
EMBL	CAA30263 CAA33801 CAB37066
GB	AAA72269 AAA72757 AAB35594 AAB36134 AAI49530
PIR	JC5560 NRBOB
PRF	630436A
REF	NP_001014408 XP_005211519 XP_005901936 XP_010837737
SP	P61823 P61824
TPE	CDG32088
TPG	DAA25470
AlphaFold	P61823 P61824

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks