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Sequence specific 1H and 15N resonance assignment of domain 1 of rat CD2 with the designed calcium binding site
Authors
Yang, W., Yang, J.J.
Assembly
Ca.CD2
Entity
1. Ca.CD2 (polymer, Thiol state: not present), 99 monomers, 11144.50 Da Detail

RDSGTVWGAL GHGIDLDIPN FQMTDDIDEV RWERGSTLVA EFKRKMKPFL KSGAFEILAN GDLKIKNLTR DDSGTYNVTV YSTNGTRILN KALDLRILE


Formula weight
11144.5 Da
Source organism
Rattus norvegicus
Exptl. method
NMR
Refine. method
ANNEAL
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 97.0 %, Completeness: 90.3 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

Total1H15N
All90.3 % (642 of 711)90.3 % (540 of 598)90.3 % (102 of 113)
Backbone95.6 % (280 of 293)96.4 % (189 of 196)93.8 % (91 of 97)
Sidechain85.9 % (359 of 418)86.8 % (349 of 402)62.5 % (10 of 16)
Aromatic93.2 % (41 of 44)92.9 % (39 of 42)100.0 % (2 of 2)
Methyl98.3 % (58 of 59)98.3 % (58 of 59)

1. Ca.CD2

RDSGTVWGAL GHGIDLDIPN FQMTDDIDEV RWERGSTLVA EFKRKMKPFL KSGAFEILAN GDLKIKNLTR DDSGTYNVTV YSTNGTRILN KALDLRILE

Sample

Temperature 298 (±1) K, pH 6.8 (±0.02)


#NameIsotope labelingTypeConcentration
1Ca.CD2[U-95% 15N]1.0 mM
2KCl130 mM
3CaCl210 mM
4PIPES20 mM

Chem. Shift Complete2
Sequence coverage: 93.9 %, Completeness: 79.6 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

Total1H15N
All79.6 % (1132 of 1422)77.7 % (929 of 1196)89.8 % (203 of 226)
Backbone94.2 % (552 of 586)94.4 % (370 of 392)93.8 % (182 of 194)
Sidechain69.0 % (577 of 836)69.3 % (557 of 804)62.5 % (20 of 32)
Aromatic90.9 % (80 of 88)90.5 % (76 of 84)100.0 % (4 of 4)
Methyl69.5 % (82 of 118)69.5 % (82 of 118)

1. Ca.CD2

RDSGTVWGAL GHGIDLDIPN FQMTDDIDEV RWERGSTLVA EFKRKMKPFL KSGAFEILAN GDLKIKNLTR DDSGTYNVTV YSTNGTRILN KALDLRILE

Sample

Temperature 298 (±1) K, pH 6.8 (±0.02)


#NameIsotope labelingTypeConcentration
5Ca.CD2[U-95% 15N]1.0 mM
6KCl130 mM
7EGTA3 mM
8PIPES20 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 1T6W, Strand ID: A Detail


Release date
2005-02-15
Citation
Design of a calcium-binding protein with desired structure in a cell adhesion molecule
Yang, W., Wilkins, A.L., Ye, Y., Liu, Z.R., Li, S.Y., Urbauer, J.L., Hellinga, H., Kearney, A., van der Merwe, P.A., Yang, J.J.
J. Am. Chem. Soc. (2005), 127, 2085-2093, PubMed 15713084 , DOI 10.1021/ja0431307 ,
Related entities 1. Ca.CD2, : 1 : 3 : 20 entities Detail
Interaction partners 1. Ca.CD2, : 1 interactors Detail
Experiments performed 1 experiments Detail
Keywords calcium binding protein, CD2, cell adhesion, protein design, resonance assignment