BMRB Entry 17748

Name: Solution NMR Insights into Docking Interactions Involving Inactive ERK2
Published: 2011-07-18

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17748

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

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Title: Solution NMR Insights into Docking Interactions Involving Inactive ERK2 PubMed: 21449613

Deposition date: 2011-06-29 Original release date: 2011-07-18

Authors: Piserchio, Andrea; Ghose, Ranajeet

Citation: Piserchio, Andrea; Warthaka, Mangalika; Devkota, Ashwini; Kaoud, Tamer; Lee, Sunbae; Abramczyk, Olga; Ren, Pengyu; Dalby, Kevin; Ghose, Ranajeet. "Solution NMR Insights into Docking Interactions Involving Inactive ERK2." Biochemistry 50, 3660-3672 (2011).

Assembly members:
ERK2, polymer, 361 residues, Formula weight is not available

Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

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

Entity Sequences (FASTA):
ERK2: GSHMAAAAAAGPEMVRGQVF DVGPRYTNLSYIGEGAYGMV CSAYDNLNKVRVAIKKISPF EHQTYCQRTLREIKILLRFR HENIIGINDIIRAPTIEQMK DVYIVQDLMETDLYKLLKTQ HLSNDHICYFLYQILRGLKY IHSANVLHRDLKPSNLLLNT TCDLKICDFGLARVADPDHD HTGFLTEYVATRWYRAPEIM LNSKGYTKSIDIWSVGCILA EMLSNRPIFPGKHYLDQLNH ILGILGSPSQEDLNCIINLK ARNYLLSLPHKNKVPWNRLF PNADSKALDLLDKMLTFNPH KRIEVEQALAHPYLEQYYDP SDEPIAEAPFKFDMELDDLP KEKLKELIFEETARFQPGYR S

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	569
15N chemical shifts	186
1H chemical shifts	186

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ERK2	1

Entities:

Entity 1, ERK2 361 residues - Formula weight is not available

1

GLY

SER

HIS

MET

ALA

2

GLY

PRO

GLU

MET

VAL

ARG

GLY

GLN

VAL

PHE

3

ASP

VAL

GLY

PRO

ARG

TYR

THR

ASN

LEU

SER

4

TYR

ILE

GLY

GLU

GLY

ALA

TYR

GLY

MET

VAL

5

CYS

SER

ALA

TYR

ASP

ASN

LEU

ASN

LYS

VAL

6

ARG

VAL

ALA

ILE

LYS

ILE

SER

PRO

PHE

7

GLU

HIS

GLN

THR

TYR

CYS

GLN

ARG

THR

LEU

8

ARG

GLU

ILE

LYS

ILE

LEU

ARG

PHE

ARG

9

HIS

GLU

ASN

ILE

GLY

ILE

ASN

ASP

ILE

10

ILE

ARG

ALA

PRO

THR

ILE

GLU

GLN

MET

LYS

11

ASP

VAL

TYR

ILE

VAL

GLN

ASP

LEU

MET

GLU

12

THR

ASP

LEU

TYR

LYS

LEU

LYS

THR

GLN

13

HIS

LEU

SER

ASN

ASP

HIS

ILE

CYS

TYR

PHE

14

LEU

TYR

GLN

ILE

LEU

ARG

GLY

LEU

LYS

TYR

15

ILE

HIS

SER

ALA

ASN

VAL

LEU

HIS

ARG

ASP

16

LEU

LYS

PRO

SER

ASN

LEU

ASN

THR

17

THR

CYS

ASP

LEU

LYS

ILE

CYS

ASP

PHE

GLY

18

LEU

ALA

ARG

VAL

ALA

ASP

PRO

ASP

HIS

ASP

19

HIS

THR

GLY

PHE

LEU

THR

GLU

TYR

VAL

ALA

20

THR

ARG

TRP

TYR

ARG

ALA

PRO

GLU

ILE

MET

21

LEU

ASN

SER

LYS

GLY

TYR

THR

LYS

SER

ILE

22

ASP

ILE

TRP

SER

VAL

GLY

CYS

ILE

LEU

ALA

23

GLU

MET

LEU

SER

ASN

ARG

PRO

ILE

PHE

PRO

24

GLY

LYS

HIS

TYR

LEU

ASP

GLN

LEU

ASN

HIS

25

ILE

LEU

GLY

ILE

LEU

GLY

SER

PRO

SER

GLN

26

GLU

ASP

LEU

ASN

CYS

ILE

ASN

LEU

LYS

27

ALA

ARG

ASN

TYR

LEU

SER

LEU

PRO

HIS

28

LYS

ASN

LYS

VAL

PRO

TRP

ASN

ARG

LEU

PHE

29

PRO

ASN

ALA

ASP

SER

LYS

ALA

LEU

ASP

LEU

30

LEU

ASP

LYS

MET

LEU

THR

PHE

ASN

PRO

HIS

31

LYS

ARG

ILE

GLU

VAL

GLU

GLN

ALA

LEU

ALA

32

HIS

PRO

TYR

LEU

GLU

GLN

TYR

ASP

PRO

33

SER

ASP

GLU

PRO

ILE

ALA

GLU

ALA

PRO

PHE

34

LYS

PHE

ASP

MET

GLU

LEU

ASP

LEU

PRO

35

LYS

GLU

LYS

LEU

LYS

GLU

LEU

ILE

PHE

GLU

36

GLU

THR

ALA

ARG

PHE

GLN

PRO

GLY

TYR

ARG

37

SER

Samples:

sample_1: ERK2, [U-13C; U-15N; U-2H], 0.2 mM; sodium phosphate 50 mM; sodium chloride 150 mM; DTT 2 mM; EDTA 0.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 200 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

SPARKY v3.115, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 900 MHz
Bruker Avance 800 MHz
Bruker Avance 700 MHz
Bruker Avance 600 MHz
Varian INOVA 600 MHz

PDB	1ERK 1GOL 1PME 1TVO 1WZY 2ERK 2FYS 2GPH 2OJG 2OJI 2OJJ 2Y9Q 2Z7L 3C9W 3ERK 3I5Z 3I60 3O71 3QYW 3QYZ 3R63 3SA0 3TEI 3W55 3ZU7 3ZUV 4ERK 4FMQ 4FUX 4FUY 4FV0 4FV1 4FV2 4FV3 4FV4 4FV5 4FV6 4FV7 4FV8 4FV9 4G6N 4G6O 4GSB 4GT3 4GVA 4H3P 4H3Q 4I5H 4IZ5 4IZ7 4IZA 4N0S 4N4S 4NIF 4O6E 4QP1 4QP2 4QP3 4QP4 4QP6 4QP7 4QP8 4QP9 4QPA 4QTA 4QTE 4QYY 4XJ0 4XNE 4XOY 4XOZ 4XP0 4XP2 4XP3 4XRJ 4ZZM 4ZZN 4ZZO 5BUE 5BUI 5BUJ 5BVD 5BVE 5BVF
DBJ	BAA01733 BAA22620 BAC29053 BAC33251 BAC40044
EMBL	CAA41548 CAA77752 CAA77753 CAA78467 CAI29602
GB	AAA41124 AAA58459 AAH17832 AAH58258 AAH99905
PRF	1813206A 1813206B
REF	NP_001033752 NP_001104270 NP_001185851 NP_001297736 NP_001301131
SP	P28482 P46196 P63085 P63086
TPG	DAA20381

Biological Magnetic Resonance Data Bank