BMRB Entry 25577

Name: Solution structure of human SUMO2
Published: 2016-04-18

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PDB ID: 2n1w
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25577
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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:

Solution structure of human SUMO2

Deposition date:

2015-04-24

Original release date:

2016-04-18

Authors:

Naik, Mandar; Naik, Nandita; Shih, Hsiu-Ming; Huang, Tai-huang

Citation:

Citation: Naik, Mandar; Naik, Nandita; Shih, Hsiu-Ming; Huang, Tai-huang. "Structures of human SUMO" .

Assembly members:

Assembly members:
SUMO2, polymer, 107 residues, 11149.640 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: pCDFDuet-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SUMO2: MGSSHHHHHHSQDPMADEKP KEGVKTENNDHINLKVAGQD GSVVQFKIKRHTPLSKLMKA YCERQGLSMRQIRFRFDGQP INETDTPAQLEMEDEDTIDV FQQQTGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
13C chemical shifts	411
15N chemical shifts	106
1H chemical shifts	666

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	human SUMO2	1

Entities:

Entity 1, human SUMO2 107 residues - 11149.640 Da.

Residues 1-14 (MGSSHHHHHHSQDP) represent a non-native purification tag. These residues were neither assigned nor included in structure calculation.

1

MET

GLY

SER

HIS

2

SER

GLN

ASP

PRO

MET

ALA

ASP

GLU

LYS

PRO

3

LYS

GLU

GLY

VAL

LYS

THR

GLU

ASN

ASP

4

HIS

ILE

ASN

LEU

LYS

VAL

ALA

GLY

GLN

ASP

5

GLY

SER

VAL

GLN

PHE

LYS

ILE

LYS

ARG

6

HIS

THR

PRO

LEU

SER

LYS

LEU

MET

LYS

ALA

7

TYR

CYS

GLU

ARG

GLN

GLY

LEU

SER

MET

ARG

8

GLN

ILE

ARG

PHE

ARG

PHE

ASP

GLY

GLN

PRO

9

ILE

ASN

GLU

THR

ASP

THR

PRO

ALA

GLN

LEU

10

GLU

MET

GLU

ASP

GLU

ASP

THR

ILE

ASP

VAL

11

PHE

GLN

THR

GLY

Samples:

CN: SUMO2, [U-100% 13C; U-100% 15N], 0.5 – 1 mM; potassium phosphate 10 ± 1 mM; potassium chloride 100 ± 1 mM; DTT 2 ± 0.05 mM; EDTA 0.1 ± 0.005 mM; sodium azide 0.001 ± 0.001 %; H2O 90%; D2O 10%

N: SUMO2, [U-100% 15N], 0.5 – 1 mM; potassium phosphate 10 ± 1 mM; potassium chloride 100 ± 1 mM; DTT 2 ± 0.05 mM; EDTA 0.1 ± 0.005 mM; sodium azide 0.001 ± 0.001 %; H2O 90%; D2O 10%

Phage: SUMO2, [U-100% 15N], 0.5 – 1 mM; potassium phosphate 10 ± 1 mM; potassium chloride 100 ± 1 mM; DTT 2 ± 0.05 mM; EDTA 0.1 ± 0.005 mM; sodium azide 0.001 ± 0.001 %; Pf1 phage 10 ± 0.1 w/v; H2O 90%; D2O 10%

Unlabeled: SUMO20.5 – 1 mM; potassium phosphate 10 ± 1 mM; potassium chloride 100 ± 1 mM; DTT 2 ± 0.05 mM; EDTA 0.1 ± 0.005 mM; sodium azide 0.001 ± 0.001 %; H2O 90%; D2O 10%

Default: pH: 6.5; pressure: 1 atm; temperature: 290 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	N	isotropic	Default
2D 1H-13C HSQC	CN	isotropic	Default
3D HNCO	CN	isotropic	Default
3D HNCA	CN	isotropic	Default
3D HN(CO)CA	CN	isotropic	Default
3D HNCACB	CN	isotropic	Default
3D CBCA(CO)NH	CN	isotropic	Default
3D HCCH-TOCSY	CN	isotropic	Default
3D HCCH-COSY	CN	isotropic	Default
3D HBHAcoNH	CN	isotropic	Default
2D-hbCBcgcdHD	CN	isotropic	Default
2D-hbCBcgcdceHE	CN	isotropic	Default
3D 1H-15N TOCSY	CN	isotropic	Default
2D 1H-1H NOESY	Unlabeled	isotropic	Default
3D 1H-15N NOESY	CN	isotropic	Default
3D 1H-13C NOESY	CN	isotropic	Default
2D 1H-15N HSQC IPAP	Phage	anisotropic	Default

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

SPARKY v3.113, Goddard - chemical shift assignment, data analysis, peak picking

CYANA v3.9, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

X-PLOR_NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 850 MHz

UNP	P61956
PDB	1WM3
AlphaFold	Q96HK1