BMRB: 25553

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

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	2:CYS9:SG	3:ZN1:ZN
2	metal coordination	sing	2:CYS12:SG	3:ZN1:ZN
3	metal coordination	sing	2:CYS22:SG	3:ZN1:ZN
4	metal coordination	sing	2:CYS25:SG	3:ZN1:ZN
5	metal coordination	sing	2:CYS31:SG	3:ZN1:ZN
6	metal coordination	sing	2:CYS34:SG	3:ZN1:ZN
7	metal coordination	sing	2:HIS40:NE2	3:ZN1:ZN
8	metal coordination	sing	2:HIS42:NE2	3: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

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	11.7 % (211 of 1803)	10.1 % (95 of 944)	3.5 % (24 of 694)	55.8 % (92 of 165)
Backbone	22.9 % (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

Show sample condition

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

#	Name	Isotope labeling	Type	Concentration
1	entity_1		protein	0.0 ~ 0.0 mM
2	entity_2		protein	0.0 ~ 0.0 mM
3	MES	natural abundance	buffer	20 mM
4	H2O	natural abundance	solvent	93 %
5	D2O	[U-2H]	solvent	7 %

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

#	Name	Isotope labeling	Type	Concentration
6	entity_1		protein	0.0 ~ 0.0 mM
7	entity_2		protein	0.0 ~ 0.0 mM
8	MES	natural abundance	buffer	20 mM
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

Hide sample codition

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 , Abstract

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