BMRB: 25901

Structure of SUMO-2 bound to phosphorylated RAP80 SIM.

Authors

Anamika, A., Spyracopoulos, L.

Assembly

SUMO-2 bound to phosphorylated RAP80 SIM

Entity

1. SUMO-2 bound to phosphorylated RAP80 SIM, entity 1 (polymer, Thiol state: not present), 15 monomers, 1580.414 Da Detail

XEDAFIVIXD XDGEX

2. SUMO-2 bound to phosphorylated RAP80 SIM, entity 2 (polymer), 95 monomers, 10871.09 Da Detail

MADEKPKEGV KTENNDHINL KVAGQDGSVV QFKIKRHTPL SKLMKAYCER QGLSMRQIRF RFDGQPINET DTPAQLEMED EDTIDVFQQQ TGGVY

Total weight

12451.504 Da

Max. entity weight

10871.09 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 78.2 %, Completeness: 37.5 %, Completeness (bb): 65.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	37.5 % (465 of 1239)	19.8 % (129 of 652)	53.8 % (254 of 472)	71.3 % (82 of 115)
Backbone	65.4 % (411 of 628)	42.1 % (91 of 216)	76.8 % (238 of 310)	80.4 % (82 of 102)
Sidechain	18.3 % (130 of 709)	8.7 % (38 of 436)	35.4 % (92 of 260)	0.0 % (0 of 13)
Aromatic	0.0 % (0 of 74)	0.0 % (0 of 37)	0.0 % (0 of 37)
Methyl	18.4 % (18 of 98)	16.3 % (8 of 49)	20.4 % (10 of 49)

1. entity 1

XEDAFIVIXD XDGEX

2. entity 2

MADEKPKEGV KTENNDHINL KVAGQDGSVV QFKIKRHTPL SKLMKAYCER QGLSMRQIRF RFDGQPINET DTPAQLEMED EDTIDVFQQQ TGGVY

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.3, Details [U-13C,15N]-SUMO-2 with pRAP80(37-49)

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		1.2 mM
2	entity_2	[U-100% 13C; U-100% 15N]		0.4 mM

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LACS Plot; CA

Referencing offset: -0.18 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	1143.55 Hz	external	indirect	0.25
1H	DSS	methyl protons	1143.55 Hz	external	indirect	1.0
15N	DSS	methyl protons	1143.55 Hz	external	indirect	0.4

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LACS Plot; CB

Referencing offset: -0.18 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	1143.55 Hz	external	indirect	0.25
1H	DSS	methyl protons	1143.55 Hz	external	indirect	1.0
15N	DSS	methyl protons	1143.55 Hz	external	indirect	0.4

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LACS Plot; CO

Referencing offset: 0.22 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	1143.55 Hz	external	indirect	0.25
1H	DSS	methyl protons	1143.55 Hz	external	indirect	1.0
15N	DSS	methyl protons	1143.55 Hz	external	indirect	0.4

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Protein Blocks Logo

Calculated from 20 models in PDB: 2N9E, Strand ID: A, B Detail

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Release date

2016-01-18

Citation

Molecular Basis for Phosphorylation Dependent SUMO Recognition by the DNA Repair Protein RAP80
Anamika, A., Spyracopoulos, L.
J. Biol. Chem. (2015), 291, 4417-4428, PubMed 26719330 , DOI 10.1074/jbc.M115.705061 , Abstract

Related entities 1. SUMO-2 bound to phosphorylated RAP80 SIM, entity 1, : 1 : 5 entities Detail

Related entities 2. SUMO-2 bound to phosphorylated RAP80 SIM, entity 2, : 3 : 1 : 54 entities Detail

Experiments performed 8 experiments Detail