BMRB Entry 15690

Name: The solution structure of the complex between MNK1 and HAH1 mediated by Cu(I)
Published: 2009-06-10

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15690

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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:

The solution structure of the complex between MNK1 and HAH1 mediated by Cu(I)

Deposition date:

2008-03-21

Original release date:

2009-06-10

Authors:

Bertini, Ivano; Banci, Lucia; Felli, Isabella; Pavelkova, Anna; Rosato, Antonio

Citation:

Citation: Banci, Lucia; Bertini, Ivano; Calderone, Vito; Della?Malva, Nunzia; Felli, Isabella; Neri, Sara; Pavelkova, Anna; Rosato, Antonio. "Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces." Biochem. J. 422, 37-42 (2009).
PubMed: 19453293

Assembly members:

Assembly members:
MNK1, polymer, 73 residues, Formula weight is not available
HAH1, polymer, 68 residues, Formula weight is not available
CU1, non-polymer, 63.546 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: pET20

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MNK1: MGVNSVTISVEGMTCNSCVW TIEQQIGKVNGVHHIKVSLE EKNATIIYDPKLQTPKTLQE AIDDMGFDAVIHN
HAH1: MPKHEFSVDMTCGGCAEAVS RVLNKLGGVKYDIDLPNKKV CIESEHSMDTLLATLKKTGK TVSYLGLE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
13C chemical shifts	564
15N chemical shifts	137
1H chemical shifts	907

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	COPPER(I) ION	3
2	MNK1	1
3	HAH1	2

Entities:

Entity 3, COPPER(I) ION - Cu - 63.546 Da.

1

CU1

Entity 1, MNK1 73 residues - Formula weight is not available

1

MET

GLY

VAL

ASN

SER

VAL

THR

ILE

SER

VAL

2

GLU

GLY

MET

THR

CYS

ASN

SER

CYS

VAL

TRP

3

THR

ILE

GLU

GLN

ILE

GLY

LYS

VAL

ASN

4

GLY

VAL

HIS

ILE

LYS

VAL

SER

LEU

GLU

5

GLU

LYS

ASN

ALA

THR

ILE

TYR

ASP

PRO

6

LYS

LEU

GLN

THR

PRO

LYS

THR

LEU

GLN

GLU

7

ALA

ILE

ASP

MET

GLY

PHE

ASP

ALA

VAL

8

ILE

HIS

ASN

Entity 2, HAH1 68 residues - Formula weight is not available

1

MET

PRO

LYS

HIS

GLU

PHE

SER

VAL

ASP

MET

2

THR

CYS

GLY

CYS

ALA

GLU

ALA

VAL

SER

3

ARG

VAL

LEU

ASN

LYS

LEU

GLY

VAL

LYS

4

TYR

ASP

ILE

ASP

LEU

PRO

ASN

LYS

VAL

5

CYS

ILE

GLU

SER

GLU

HIS

SER

MET

ASP

THR

6

LEU

ALA

THR

LEU

LYS

THR

GLY

LYS

7

THR

VAL

SER

TYR

LEU

GLY

LEU

GLU

Samples:

HAH1-Cu(I)-MNK1: MNK1 0.6 mM; HAH1, [U-100% 13C; U-100% 15N], 0.6 mM; COPPER(I) ION 0.6 mM

MNK1-Cu(I)-HAH1: MNK1, [U-100% 13C; U-100% 15N], 0.6 mM; HAH1 0.6 mM; COPPER(I) ION 0.6 mM

MNK1-Cu(I)-HAH1_excess: MNK1, [U-99% 13C; U-99% 15N], 0.6 mM; HAH1 1.0 mM; COPPER(I) ION 1.0 mM

HAH1-Cu(I)-MNK1_excess: MNK1 1.0 mM; HAH1, [U-100% 13C; U-100% 15N], 0.6 mM; COPPER(I) ION 1.0 mM

conditions_MNK1-Cu(I)-HAH1: pH: 7.0; pressure: 1 atm; temperature: 298 K

conditions_HAH1-Cu(I)-MNK1: pH: 7.0; pressure: 1 atm; temperature: 298 K

conditions_HAH1-Cu(I)-MNK1_excess: pH: 7.0; pressure: 1 atm; temperature: 298 K

conditions_MNK1-Cu(I)-HAH1_excess: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
2D 1H-13C HSQC	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
3D CBCA(CO)NH	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
3D HNCO	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
3D HNCACB	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
3D HCCH-TOCSY	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
3D 1H-15N NOESY	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
3D 1H-13C NOESY	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
2D 1H-15N HSQC	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
2D 1H-13C HSQC	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
3D CBCA(CO)NH	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
3D HNCO	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
3D HNCACB	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
3D HCCH-TOCSY	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
3D 1H-15N NOESY	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
3D 1H-13C NOESY	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1
13C-edited,13C-edited,13C,15N NOESY	MNK1-Cu(I)-HAH1	isotropic	conditions_MNK1-Cu(I)-HAH1
13C-edited,13C-edited,13C,15N-filtered NOESY	HAH1-Cu(I)-MNK1	isotropic	conditions_HAH1-Cu(I)-MNK1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 400 MHz
Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz
Bruker Avance 900 MHz

PDB	1KVJ 1KVI 1KVJ 2K1R 3CJK 1TL4 1FE0 1FE4 1FEE 1TL4 1TL5 2K1R 2LQ9 3CJK 3IWL 3IWX
BMRB	6266 18299 6266
DBJ	BAF85752
EMBL	CAG33182
GB	AAC51227 AAI12249 AAI12251 AAN84554 AAP88788
REF	NP_004036 XP_001169183 XP_002816151 XP_003276598 XP_003829035
SP	O00244
AlphaFold	O00244