BMRB Entry 19961

Name: Solution structure of SUMO Dimer in Complex with SIM2-3 from RNF4
Published: 2014-06-30

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PDB ID: 2mp2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR19961
MolProbity Validation Chart

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

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Title: Solution structure of SUMO Dimer in Complex with SIM2-3 from RNF4 PubMed: 24969970

Deposition date: 2014-05-09 Original release date: 2014-06-30

Authors: Xu, Yingqi; Plechanovov, Anna; Simpson, Pete; Marchant, Jan; Leidecker, Orsolya; Sebastian, Kraatz; Hay, Ronald; Matthews, Stephen

Citation: Xu, Yingqi; Plechanovov, Anna; Simpson, Pete; Marchant, Jan; Leidecker, Orsolya; Sebastian, Kraatz; Hay, Ronald; Matthews, Stephen. "Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4" Nat. Commun. 5, 4217-4217 (2014).

Assembly members:
entity_1, polymer, 82 residues, 9350.515 Da.
entity_2, polymer, 90 residues, 10351.681 Da.
entity_3, polymer, 25 residues, 2713.963 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_1: GTENDHINLKVAGQDGSVVQ FKIKRHTPLSKLMKAYCERQ GLSMRQIRFRFDGQPINETD TPAQLEMEDEDTIDVFQQQT GG
entity_2: GSEEKPKEGVKTENDHINLK VAGQDGSVVQFKIKRHTPLS KLMKAYCERQGLSMRQIRFR FDGQPINETDTPAQLEMEDE DTIDVFQQQT
entity_3: TVGDEIVDLTCESLEPVVVD LTHND

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	484
1H chemical shifts	919
15N chemical shifts	113

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2
3	entity_3	3

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_3	isotropic	sample_conditions_1

Related Database Links:

BMRB	11267
PDB	1U4A 1WM2 1WM3 1WZ0 2AWT 2CKH 2D07 2IO0 2IO1 2IO3 2IYD 2MP2 2RPQ 3UIN 3UIO 3ZO5 4BKG 4NPN 5D2M 1U4A 1WM2 1WM3 2CKH 2IO0 2IO1 2IO3 2IYD 2MP2 3UIN 3UIO 3ZO5 4NPN 2MP2
DBJ	BAB28360 BAB28442 BAB28601 BAC39397 BAD96311 BAB28442 BAB28601 BAD96311 BAE28469 BAE29276 BAB31585 BAC41119 BAE26531 BAE27641 BAE30125
EMBL	CAA67896 CAA67897 CAG10356 CAG32064 CAG32742 CAA67896 CAG32742 CAG46970 CAG46985 CAJ81372
GB	AAB49682 AAB92355 AAC99333 AAD45399 AAH00036 AAC99333 AAH00036 AAH08420 AAH54172 AAH58303 AAC35248 AAC53539 AAF00620 AAH03282 AAH62024
REF	NP_001002677 NP_001003422 NP_001004853 NP_001016406 NP_001019466 NP_001002677 NP_001004853 NP_001019466 NP_001069917 NP_001072966 NP_001291198 NP_001291199 NP_035408 NP_062055 XP_006503868
SP	P55854 P61955 P61956 P61957 P61958 P55854 Q17QV3 Q5XIF4 Q5ZHQ1 Q6DI05 O88846 Q9QZS2
TPG	DAA13334 DAA18189 DAA33002 DAA22297 DAA33002

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	GLY	SER	GLU	GLU	LYS	PRO	LYS	GLU	GLY	VAL
2	LYS	THR	GLU	ASN	ASP	HIS	ILE	ASN	LEU	LYS
3	VAL	ALA	GLY	GLN	ASP	GLY	SER	VAL	VAL	GLN
4	PHE	LYS	ILE	LYS	ARG	HIS	THR	PRO	LEU	SER
5	LYS	LEU	MET	LYS	ALA	TYR	CYS	GLU	ARG	GLN
6	GLY	LEU	SER	MET	ARG	GLN	ILE	ARG	PHE	ARG
7	PHE	ASP	GLY	GLN	PRO	ILE	ASN	GLU	THR	ASP
8	THR	PRO	ALA	GLN	LEU	GLU	MET	GLU	ASP	GLU
9	ASP	THR	ILE	ASP	VAL	PHE	GLN	GLN	GLN	THR

Biological Magnetic Resonance Data Bank

BMRB Entry 19961

Title: Solution structure of SUMO Dimer in Complex with SIM2-3 from RNF4 PubMed: 24969970

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	GLY	SER	GLU	GLU	LYS	PRO	LYS	GLU	GLY	VAL
2	LYS	THR	GLU	ASN	ASP	HIS	ILE	ASN	LEU	LYS
3	VAL	ALA	GLY	GLN	ASP	GLY	SER	VAL	VAL	GLN
4	PHE	LYS	ILE	LYS	ARG	HIS	THR	PRO	LEU	SER
5	LYS	LEU	MET	LYS	ALA	TYR	CYS	GLU	ARG	GLN
6	GLY	LEU	SER	MET	ARG	GLN	ILE	ARG	PHE	ARG
7	PHE	ASP	GLY	GLN	PRO	ILE	ASN	GLU	THR	ASP
8	THR	PRO	ALA	GLN	LEU	GLU	MET	GLU	ASP	GLU
9	ASP	THR	ILE	ASP	VAL	PHE	GLN	GLN	GLN	THR

1	GLY	SER	GLU	GLU	LYS	PRO	LYS	GLU	GLY	VAL
2	LYS	THR	GLU	ASN	ASP	HIS	ILE	ASN	LEU	LYS
3	VAL	ALA	GLY	GLN	ASP	GLY	SER	VAL	VAL	GLN
4	PHE	LYS	ILE	LYS	ARG	HIS	THR	PRO	LEU	SER
5	LYS	LEU	MET	LYS	ALA	TYR	CYS	GLU	ARG	GLN
6	GLY	LEU	SER	MET	ARG	GLN	ILE	ARG	PHE	ARG
7	PHE	ASP	GLY	GLN	PRO	ILE	ASN	GLU	THR	ASP
8	THR	PRO	ALA	GLN	LEU	GLU	MET	GLU	ASP	GLU
9	ASP	THR	ILE	ASP	VAL	PHE	GLN	GLN	GLN	THR

1	GLY	SER	GLU	GLU	LYS	PRO	LYS	GLU	GLY	VAL
2	LYS	THR	GLU	ASN	ASP	HIS	ILE	ASN	LEU	LYS
3	VAL	ALA	GLY	GLN	ASP	GLY	SER	VAL	VAL	GLN
4	PHE	LYS	ILE	LYS	ARG	HIS	THR	PRO	LEU	SER
5	LYS	LEU	MET	LYS	ALA	TYR	CYS	GLU	ARG	GLN
6	GLY	LEU	SER	MET	ARG	GLN	ILE	ARG	PHE	ARG
7	PHE	ASP	GLY	GLN	PRO	ILE	ASN	GLU	THR	ASP
8	THR	PRO	ALA	GLN	LEU	GLU	MET	GLU	ASP	GLU
9	ASP	THR	ILE	ASP	VAL	PHE	GLN	GLN	GLN	THR