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Structure of the second PDZ domain of NHERF-1
Authors
Cheng, H., Li, J., Dai, Z., Bu, Z., Roder, H.
Assembly
PDZ domain
Entity
1. PDZ domain (polymer, Thiol state: all free), 98 monomers, 10709.00 Da Detail

GIDPFTMLRP RLCTMKKGPS GYGFNLHSDK SKPGQFIRSV DPDSPAEASG LRAQDRIVEV NGVCMEGKQH GDVVSAIRAG GDETKLLVVD RETDEFFK


Formula weight
10709.0 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
DGSA-distance geometry simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 85.1 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All85.1 % (940 of 1104)85.8 % (497 of 579)81.8 % (350 of 428)95.9 % (93 of 97)
Backbone97.6 % (562 of 576)99.0 % (199 of 201)96.8 % (274 of 283)96.7 % (89 of 92)
Sidechain75.6 % (465 of 615)78.8 % (298 of 378)70.3 % (163 of 232)80.0 % (4 of 5)
Aromatic39.4 % (26 of 66)78.8 % (26 of 33) 0.0 % (0 of 33)
Methyl87.8 % (79 of 90)95.6 % (43 of 45)80.0 % (36 of 45)

1. PDZ2

GIDPFTMLRP RLCTMKKGPS GYGFNLHSDK SKPGQFIRSV DPDSPAEASG LRAQDRIVEV NGVCMEGKQH GDVVSAIRAG GDETKLLVVD RETDEFFK

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288.1 K, pH 7.5, Details 1 mM, NHERF PDZ2


#NameIsotope labelingTypeConcentration
1PDZ2natural abundance1 mM
2NaClnatural abundance150 mM
3HEPESnatural abundance20 mM
4DTTnatural abundance0.5 mM
5D2O[U-100% 2H]5 %
6H2O95 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288.1 K, pH 7.5, Details 1mM, 1H, 15N NHERF PDZ2


#NameIsotope labelingTypeConcentration
7PDZ2[U-100% 15N]1 mM
8NaClnatural abundance150 mM
9HEPESnatural abundance20 mM
10DTTnatural abundance0.5 mM
11D2O[U-100% 2H]5 %
12H2O95 %
Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288.1 K, pH 7.5, Details 1 mM, 1H, 13C, 15N NHERF PDZ2


#NameIsotope labelingTypeConcentration
13PDZ2[U-100% 13C; U-100% 15N]1 mM
14NaClnatural abundance150 mM
15HEPESnatural abundance20 mM
16DTTnatural abundance0.5 mM
17D2O[U-100% 2H]5 %
18H2O95 %

LACS Plot; CA
Referencing offset: -0.08 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.08 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.07 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.64 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 12 models in PDB: 2JXO, Strand ID: A Detail


Release date
2009-05-27
Citation
Autoinhibitory interactions between the PDZ2 and C-terminal domains in the scaffolding protein NHERF1
Cheng, H., Li, J., Ruzaliya, F., Dai, Z., Bu, Z., Roder, H.
Structure (2009), 17, 660-669, PubMed 19446522 , DOI 10.1016/j.str.2009.03.009 ,
Related entities 1. PDZ domain, : 1 : 3 : 4 : 330 entities Detail
Interaction partners 1. PDZ domain, : 35 interactors Detail
Experiments performed 12 experiments Detail
NMR combined restraints 5 contents Detail
Keywords CD, NMR, relaxation dispersion, solution structure