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Backbone 1H, 13C and 15N Chemical Shift Assignments for the free alpha chain of human haemoglobin
Authors
Gell, D.A.
Assembly
alpha haemoglobin in monomer-dimer equilibrium
Entity
1. HBA1 (polymer, Thiol state: all free), 141 monomers, 15126.15 × 2 Da Detail

VLSPADKTNV KAAWGKVGAH AGEYGAEALE RMFLSFPTTK TYFPHFDLSH GSAQVKGHGK KVADALTNAV AHVDDMPNAL SALSDLHAHK LRVDPVNFKL LSHCLLVTLA AHLPAEFTPA VHASLDKFLA SVSTVLTSKY R


2. HEM (non-polymer), 616.487 × 2 Da
Total weight
31485.275 Da
Max. entity weight
15126.15 Da
Source organism
Homo sapiens
Exptl. method
SOLUTION NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 87.2 %, Completeness: 31.4 %, Completeness (bb): 57.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All31.4 % (498 of 1586)18.2 % (146 of 804)37.1 % (237 of 639)80.4 % (115 of 143)
Backbone57.1 % (471 of 825)44.4 % (122 of 275)56.5 % (235 of 416)85.1 % (114 of 134)
Sidechain15.0 % (134 of 895) 4.7 % (25 of 529)30.3 % (108 of 357)11.1 % (1 of 9)
Aromatic 0.0 % (0 of 146) 0.0 % (0 of 73) 0.0 % (0 of 72) 0.0 % (0 of 1)
Methyl16.3 % (30 of 184) 6.5 % (6 of 92)26.1 % (24 of 92)

1. HBA1

VLSPADKTNV KAAWGKVGAH AGEYGAEALE RMFLSFPTTK TYFPHFDLSH GSAQVKGHGK KVADALTNAV AHVDDMPNAL SALSDLHAHK LRVDPVNFKL LSHCLLVTLA AHLPAEFTPA VHASLDKFLA SVSTVLTSKY R

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.0


#NameIsotope labelingTypeConcentration
1HBA1[U-98% 13C; U-98% 15N]0.6 ~ 0.9 mM
2haemnatural abundance0.6 ~ 0.9 mM
3DSSnatural abundance40 uM

LACS Plot; CA
Referencing offset: -0.08 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.08 ppm, Outliers: 1 Detail
Release date
2010-04-25
Citation
NMR reveals hydrogen bonds between oxygen and distal histidines in oxyhemoglobin
Dickson, C.F., KrishnaKumar, K., Mackay, J.P., Gell, D.A.
Proc. Natl. Acad. Sci. U. S. A. (2000), 97, 10354-10358, PubMed 10962034 , DOI 10.1073/pnas.190254697 ,
Related entities 1. HBA1, : 1 : 100 : 1 : 6 : 100 entities Detail
Interaction partners 1. HBA1, : 30 interactors Detail
Experiments performed 3 experiments Detail