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1H Chemical Shift Assignments for the cyanomet complex of the isolated alpha-chain from human hemoglobin A
Authors
Tran, A.T., Kolczak, U., La Mar, G.N.
Assembly
human hemglobin A
Entity
1. Human hemoglobin A (polymer, Thiol state: not reported), 141 monomers, 15126.15 × 2 Da Detail

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


2. CYANIDE ION (non-polymer), 26.017 Da
3. PROTOPORPHYRIN IX CONTAINING FE (non-polymer), 1 monomers, na Da
Total weight
30278.318 Da
Max. entity weight
15126.15 Da
Source organism
Homo sapiens
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 75.2 %, Completeness: 50.1 %, Completeness (bb): 69.5 % Detail

Polymer type: polypeptide(L)

Total1H
All50.1 % (403 of 804)50.1 % (403 of 804)
Backbone69.5 % (191 of 275)69.5 % (191 of 275)
Sidechain40.1 % (212 of 529)40.1 % (212 of 529)
Aromatic49.3 % (36 of 73)49.3 % (36 of 73)
Methyl54.3 % (50 of 92)54.3 % (50 of 92)

1. Human hemoglobin A

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

Sample

Temperature 303 (±1) K, pH 5.4 (±0.2)


#NameIsotope labelingTypeConcentration
1Human hemoglobin A2 mM

Chem. Shift Complete2
Sequence coverage: 12.8 %, Completeness: 28.9 %, Completeness (bb): 39.3 % Detail

Polymer type: polypeptide(L)

Total1H
All28.9 % (465 of 1608)28.9 % (465 of 1608)
Backbone39.3 % (216 of 550)39.3 % (216 of 550)
Sidechain23.5 % (249 of 1058)23.5 % (249 of 1058)
Aromatic24.7 % (36 of 146)24.7 % (36 of 146)
Methyl33.2 % (61 of 184)33.2 % (61 of 184)

1. Human hemoglobin A

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

Sample

Temperature 303 (±1) K, pH 5.4 (±0.2)


#NameIsotope labelingTypeConcentration
1Human hemoglobin A2 mM

Chem. Shift Complete3
Sequence coverage: 72.3 %, Completeness: 36.2 %, Completeness (bb): 49.3 % Detail

Polymer type: polypeptide(L)

Total1H
All36.2 % (873 of 2412)36.2 % (873 of 2412)
Backbone49.3 % (407 of 825)49.3 % (407 of 825)
Sidechain29.4 % (467 of 1587)29.4 % (467 of 1587)
Aromatic30.1 % (66 of 219)30.1 % (66 of 219)
Methyl39.1 % (108 of 276)39.1 % (108 of 276)

1. Human hemoglobin A

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

Sample

Temperature 303 (±1) K, pH 8.4 (±0.2)


#NameIsotope labelingTypeConcentration
1Human hemoglobin A2 mM

Chem. Shift Complete4
Sequence coverage: 16.3 %, Completeness: 30.8 %, Completeness (bb): 40.5 % Detail

Polymer type: polypeptide(L)

Total1H
All30.8 % (989 of 3216)30.8 % (989 of 3216)
Backbone40.5 % (446 of 1100)40.5 % (446 of 1100)
Sidechain25.7 % (544 of 2116)25.7 % (544 of 2116)
Aromatic22.6 % (66 of 292)22.6 % (66 of 292)
Methyl35.1 % (129 of 368)35.1 % (129 of 368)

1. Human hemoglobin A

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

Sample

Temperature 303 (±1) K, pH 5.4 (±0.2)


#NameIsotope labelingTypeConcentration
1Human hemoglobin A2 mM

Release date
2003-05-22
Citation
Solution 1H NMR study of the active site molecular structure and magnetic properties of the cyanomet complex of the isolated alpha-chain from human hemoglobin A
Tran, A.T., Kolczak, U., La Mar, G.N.
Biochim. Biophys. Acta (2003), 1650, 59-72, PubMed 12922170 , DOI 10.1016/s1570-9639(03)00202-4 ,
Related entities 1. Human hemoglobin A, : 1 : 100 : 1 : 6 : 100 entities Detail
Interaction partners 1. Human hemoglobin A, : 30 interactors Detail
Experiments performed 4 experiments Detail
Keywords NMR, a-chain, dipolar shifts, hemoglobin, magnetic axes