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The complex structure of homeodomain in solution
Authors
LIU, C., ZHOU, B., ZHU, G.
Assembly
homeodomain
Entity
1. homeodomain, entity 1 (polymer, Thiol state: not present), 60 monomers, 7722.073 Da Detail

TRKKRCPYTK YQTLELEKEF LFNMYLTRDR RYEVARVLNL TERQVKIWFQ NRRMKMKKMN


2. homeodomain, entity 2 (polymer, Thiol state: not present), 20 monomers, 2330.236 Da Detail

NQEFDSEEET VEDSLVEDSE


Total weight
10052.31 Da
Max. entity weight
7722.073 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
torsion angle dynamics, simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 85.0 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All85.0 % (872 of 1026)88.1 % (483 of 548)77.4 % (301 of 389)98.9 % (88 of 89)
Backbone97.9 % (468 of 478)100.0 % (159 of 159)95.8 % (230 of 240)100.0 % (79 of 79)
Sidechain75.8 % (476 of 628)83.3 % (324 of 389)62.4 % (143 of 229)90.0 % (9 of 10)
Aromatic57.1 % (48 of 84)73.8 % (31 of 42)39.0 % (16 of 41)100.0 % (1 of 1)
Methyl92.4 % (61 of 66)100.0 % (33 of 33)84.8 % (28 of 33)

1. entity 1

TRKKRCPYTK YQTLELEKEF LFNMYLTRDR RYEVARVLNL TERQVKIWFQ NRRMKMKKMN

2. entity 2

NQEFDSEEET VEDSLVEDSE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 296 K, pH 6.5


#NameIsotope labelingTypeConcentration
1entity_1[U-100% 13C; U-100% 15N]0.8 mM
2entity_2natural abundance1.0 mM
3potassium phosphatenatural abundance25 mM
4sodium chloridenatural abundance100 mM
5DTTnatural abundance5 mM
6H2Onatural abundance90 %
7D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 296 K, pH 6.5


#NameIsotope labelingTypeConcentration
8entity_1[U-99% 13C; U-99% 15N]0.80 mM
9entity_2natural abundance1.0 mM
10potassium phosphatenatural abundance25 mM
11sodium chloridenatural abundance100 mM
12DTTnatural abundance5 mM
13D2Onatural abundance100 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 296 K, pH 6.5


#NameIsotope labelingTypeConcentration
14entity_2[U-100% 13C; U-100% 15N]0.8 mM
15entity_1natural abundance1.0 mM
16potassium phosphatenatural abundance25 mM
17sodium chloridenatural abundance100 mM
18DTTnatural abundance5 mM
19H2Onatural abundance90 %
20D2Onatural abundance10 %

Protein Blocks Logo
Calculated from 10 models in PDB: 2LP0, Strand ID: A, B Detail


Release date
2012-06-03
Citation
Structural basis for homeodomain recognition by the cell-cycle regulator Geminin
Zhou, B., Liu, C., Xu, Z., Zhu, G.
Proc. Natl. Acad. Sci. U. S. A. (2012), 109, 8931-8936, PubMed 22615398 , DOI 10.1073/pnas.1200874109 ,
Related entities 1. homeodomain, entity 1, : 4 : 11 : 85 entities Detail
Related entities 2. homeodomain, entity 2, : 1 : 3 : 5 entities Detail
Interaction partners 2. homeodomain, entity 2, : 17 interactors Detail
Experiments performed 20 experiments Detail
nullKeywords homeodomain