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The NMR solution structure of a redesigned apocytochrome b562:Rd-apocyt b562
Authors
Feng, H., Takei, J., Lipsitz, R., Tjandra, N., Bai, Y.
Assembly
redesigned apocytochrome B562
Entity
1. redesigned apocytochrome B562 (polymer, Thiol state: not present), 106 monomers, 11711.98 Da Detail

ADLEDNWETL NDNLKVIEKA DNAAQVKDAL TKMRAAALDA QKATPPKLED KSPDSPEMKD FRHGFDILVG QIDDALKLAN EGKVKEAQAA AEQLKTTIRA YNQKYG


Formula weight
11711.98 Da
Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
distance geometry, simulated annealing, molecular dynamics, matrix relaxation, torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 85.2 %, Completeness (bb): 83.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All85.2 % (1038 of 1218)92.5 % (590 of 638)72.7 % (338 of 465)95.7 % (110 of 115)
Backbone83.1 % (522 of 628)98.6 % (209 of 212)68.5 % (215 of 314)96.1 % (98 of 102)
Sidechain89.3 % (618 of 692)89.4 % (381 of 426)88.9 % (225 of 253)92.3 % (12 of 13)
Aromatic50.0 % (26 of 52)100.0 % (26 of 26) 0.0 % (0 of 25) 0.0 % (0 of 1)
Methyl100.0 % (116 of 116)100.0 % (58 of 58)100.0 % (58 of 58)

1. redesigned apocytochrome B562

ADLEDNWETL NDNLKVIEKA DNAAQVKDAL TKMRAAALDA QKATPPKLED KSPDSPEMKD FRHGFDILVG QIDDALKLAN EGKVKEAQAA AEQLKTTIRA YNQKYG

Sample #1

Pressure 1 atm, Temperature 298 K, pH 4.84


#NameIsotope labelingTypeConcentration
1redesigned apocytochrome B562[U-15N; U-13C]1.5 mM
2Sodium acetate50 mM
3H2O92.5 %
4D2O7.5 %
Sample #2

Pressure 1 atm, Temperature 298 K, pH 4.84


#NameIsotope labelingTypeConcentration
5redesigned apocytochrome B562[U-13C]1.5 mM
6Sodium acetate50 mM
7H2O92.5 %
8D2O7.5 %

LACS Plot; CA
Referencing offset: 2.19 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: 2.19 ppm, Outliers: 3 Detail
LACS Plot; HA
Referencing offset: 0.03 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 15 models in PDB: 1YYX, Strand ID: A Detail


Release date
2005-08-29
Citation
Specific non-native hydrophobic interactions in a hidden folding intermediate: implications for protein folding
Feng, H., Takei, J., Lipsitz, R., Tjandra, N., Bai, Y.
Biochemistry (2003), 42, 12461-12465, PubMed 14580191 , DOI 10.1021/bi035561s ,
Related entities 1. redesigned apocytochrome B562, : 1 : 1 : 97 : 11 entities Detail
Interaction partners 1. redesigned apocytochrome B562, : 16 interactors Detail
Experiments performed 7 experiments Detail
nullKeywords Berkeley Structural Genomics Center, BSGC, four Helix protein, Protein Structure Initiative, PSI, Structural Genomics