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Docked structure between SUMO1 and ZZ-domain from CBP
Authors
Diehl, C.
Assembly
SUMO1 and ZZ-domain from CBP
Entity
1. SUMO1 and ZZ-domain from CBP, entity 1 (polymer, Thiol state: all free), 100 monomers, 11499.80 Da Detail

MSDQEAKPST EDLGDKKEGE YIKLKVIGQD SSEIHFKVKM TTHLKKLKES YCQRQGVPMN SLRFLFEGQR IADNHTPKEL GMEEEDVIEV YQEQTGHSTV


2. SUMO1 and ZZ-domain from CBP, entity 2 (polymer, Thiol state: all other bound), 53 monomers, 6304.030 Da Detail

GQDRFVYTCN ECKHHVETRW HCTVCEDYDL CINCYNTKSH AHKMVKWGLG LDD


3. ZINC ION (non-polymer), 65.409 × 2 Da
Total weight
17934.648 Da
Max. entity weight
11499.8 Da
Entity Connection
metal coordination 8 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1metal coordinationsing2:CYS9:SG3:ZN1:ZN
2metal coordinationsing2:CYS12:SG3:ZN1:ZN
3metal coordinationsing2:CYS22:SG3:ZN1:ZN
4metal coordinationsing2:CYS25:SG3:ZN1:ZN
5metal coordinationsing2:CYS31:SG3:ZN1:ZN
6metal coordinationsing2:CYS34:SG3:ZN1:ZN
7metal coordinationsing2:HIS40:NE23:ZN1:ZN
8metal coordinationsing2:HIS42:NE23:ZN1:ZN

Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 60.1 %, Completeness: 11.7 %, Completeness (bb): 22.9 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All11.7 % (211 of 1803)10.1 % (95 of 944) 3.5 % (24 of 694)55.8 % (92 of 165)
Backbone22.9 % (209 of 912)29.7 % (93 of 313) 5.3 % (24 of 449)61.3 % (92 of 150)
Sidechain 1.2 % (12 of 1034) 0.3 % (2 of 631) 2.6 % (10 of 388) 0.0 % (0 of 15)
Aromatic 0.0 % (0 of 148) 0.0 % (0 of 74) 0.0 % (0 of 72) 0.0 % (0 of 2)
Methyl 0.0 % (0 of 130) 0.0 % (0 of 65) 0.0 % (0 of 65)

1. entity 1

MSDQEAKPST EDLGDKKEGE YIKLKVIGQD SSEIHFKVKM TTHLKKLKES YCQRQGVPMN SLRFLFEGQR IADNHTPKEL GMEEEDVIEV YQEQTGHSTV

2. entity 2

GQDRFVYTCN ECKHHVETRW HCTVCEDYDL CINCYNTKSH AHKMVKWGLG LDD

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 20 mM MES pH 6.0, 90% H2O, 10% D2O


#NameIsotope labelingTypeConcentration
1entity_1protein0.0 ~ 0.0 mM
2entity_2protein0.0 ~ 0.0 mM
3MESnatural abundancebuffer20 mM
4H2Onatural abundancesolvent93 %
5D2O[U-2H]solvent7 %
Sample #2

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 20 mM MES pH 6.0, 90% H2O, 10% D2O


#NameIsotope labelingTypeConcentration
6entity_1protein0.0 ~ 0.0 mM
7entity_2protein0.0 ~ 0.0 mM
8MESnatural abundancebuffer20 mM
9H2Onatural abundancesolvent90 %
10D2O[U-2H]solvent10 %

Protein Blocks Logo
Calculated from 6 models in PDB: 2N1A, Strand ID: A, B Detail


Release date
2016-05-31
Citation
Structural analysis of a complex between small ubiquitin-like modifier 1 (SUMO1) and the ZZ domain of CREB-binding Protein (CBP/p300) reveals a new interaction surface on SUMO
Diehl, C., Akke, M., Bekker-Jensen, S., Mailand, N., Streicher, W., Wikstrom, M.
J. Biol. Chem. (2016), 291, 12658-12672, PubMed 27129204 , DOI 10.1074/jbc.M115.711325 ,
Related entities 1. SUMO1 and ZZ-domain from CBP, entity 1, : 36 entities Detail
Related entities 2. SUMO1 and ZZ-domain from CBP, entity 2, : 1 : 1 : 4 : 18 entities Detail
Interaction partners 2. SUMO1 and ZZ-domain from CBP, entity 2, : 81 interactors Detail
Experiments performed 2 experiments Detail
nullKeywords SIM, SUMO1, ZZ-domain, docked structure, protein-protein complex