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NMR STRUCTURE OF P62 PB1 DIMER DETERMINED BASED ON PCS
Authors
Saio, T., Yokochi, M., Kumeta, H., Inagaki, F.
Assembly
P62 PB1 Dimer
Entity
1. P62 PB1 Dimer, entity 1 (polymer, Thiol state: all disulfide bound), 117 monomers, 13058.55 Da Detail

CYVDTNNDGA YEGDELHMGS LTVKAYLLGK EEAAREIRRF SFCFSPEPEA EAAAGPGPSE RLLSRVAVLF PALRPGGFQA HYRAERGDLV AFSSDEELTM AMSYVKDDIF RIYIKEK


2. P62 PB1 Dimer, entity 2 (polymer, Thiol state: not present), 100 monomers, 11144.42 Da Detail

HMSLTVEAYL LGKEEAAREI RRFSFSFSPE PEAEAAAGPG PSERLLSRVA VLFPALRPGG FQAHYRDEDG DLVAFSSDEE LTMAMSYVKD DIFAIYIKEK


3. TB (non-polymer), 158.925 Da
Total weight
24361.895 Da
Max. entity weight
13058.55 Da
Entity Connection
disulfide 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS1:SG1:CYS43:SG

Source organism
Rattus norvegicus
Exptl. method
solution NMR
Refine. method
DGSA-distance geometry simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 88.9 %, Completeness: 29.2 %, Completeness (bb): 61.8 % Detail

Polymer type: polypeptide(L)

Total1H15N
All29.2 % (437 of 1495)19.0 % (244 of 1286)92.3 % (193 of 209)
Backbone61.8 % (397 of 642)46.7 % (204 of 437)94.1 % (193 of 205)
Sidechain 4.7 % (40 of 853) 4.7 % (40 of 849) 0.0 % (0 of 4)
Aromatic 3.4 % (4 of 118) 3.4 % (4 of 118)
Methyl 6.5 % (7 of 108) 6.5 % (7 of 108)

1. entity 1

CYVDTNNDGA YEGDELHMGS LTVKAYLLGK EEAAREIRRF SFCFSPEPEA EAAAGPGPSE RLLSRVAVLF PALRPGGFQA HYRAERGDLV AFSSDEELTM AMSYVKDDIF RIYIKEK

2. entity 2

HMSLTVEAYL LGKEEAAREI RRFSFSFSPE PEAEAAAGPG PSERLLSRVA VLFPALRPGG FQAHYRDEDG DLVAFSSDEE LTMAMSYVKD DIFAIYIKEK

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5


#NameIsotope labelingTypeConcentration
1entity_1[U-99% 13C; U-99% 15N]0.5 mM
2entity_2natural abundance0.5 mM
3MESnatural abundance20 mM
4sodium chloridenatural abundance50 mM
5TERBIUM(III) IONnatural abundance0.5 mM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5


#NameIsotope labelingTypeConcentration
6entity_1natural abundance0.5 mM
7entity_2[U-99% 13C; U-99% 15N]0.5 mM
8MESnatural abundance20 mM
9sodium chloridenatural abundance50 mM
10TERBIUM(III) IONnatural abundance0.5 mM

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


Release date
2010-05-02
Citation
PCS-based structure determination of protein-protein complexes
Saio, T., Yokochi, M., Kumeta, H., Inagaki, F.
J. Biomol. NMR (2010), 46, 271-280, PubMed 20300805 , DOI 10.1007/s10858-010-9401-4 ,
Related entities 1. P62 PB1 Dimer, entity 1, : 2 : 10 entities Detail
Related entities 2. P62 PB1 Dimer, entity 2, : 2 : 21 entities Detail
Interaction partners 1. P62 PB1 Dimer, entity 1, : 5 interactors Detail
Interaction partners 2. P62 PB1 Dimer, entity 2, : 5 interactors Detail
Experiments performed 12 experiments Detail
Chemical shift validation 5 contents Detail
Keywords Autophagy, homo-oligomer, lanthanide binding peptide tag, LBT, NF-kB signaling, paramagnetic lanthanoids, PB1 dimer, PCS, pseudo-contact shift, rigid-body docking