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Backbone Resonance Assignments of Human Normal Adult Hemoglobin in the Deoxy Form
Authors
Sahu, S.C., Simplaceanu, V., Ho, N.T., Giovannelli, J.L., Ho, C.
Assembly
deoxy-Hb A
Entity
1. deoxy-Hb A alpha (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. deoxy-Hb A beta (polymer, Thiol state: all free), 146 monomers, 15867.00 × 2 Da Detail

VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST PDAVMGNPKV KAHGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP ENFRLLGNVL VCVLAHHFGK EFTPPVQAAY QKVVAGVANA LAHKYH


3. HEM (non-polymer), 616.487 × 4 Da
Total weight
64452.25 Da
Max. entity weight
15867.0 Da
Source organism
Homo sapiens
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 89.2 %, Completeness: 38.3 %, Completeness (bb): 68.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All38.3 % (1248 of 3262)18.1 % (301 of 1659)55.2 % (721 of 1307)76.4 % (226 of 296)
Backbone68.8 % (1152 of 1674)40.2 % (225 of 560)83.5 % (702 of 841)82.4 % (225 of 273)
Sidechain17.5 % (324 of 1855) 6.9 % (76 of 1099)33.7 % (247 of 733) 4.3 % (1 of 23)
Aromatic 0.6 % (2 of 310) 0.6 % (1 of 155) 0.0 % (0 of 152)33.3 % (1 of 3)
Methyl16.1 % (60 of 372) 8.6 % (16 of 186)23.7 % (44 of 186)

1. deoxy-Hb A alpha

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

2. deoxy-Hb A beta

VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST PDAVMGNPKV KAHGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP ENFRLLGNVL VCVLAHHFGK EFTPPVQAAY QKVVAGVANA LAHKYH

Sample #1

Temperature 302 (±0.2) K, pH 7 (±0.2)


#NameIsotope labelingTypeConcentration
1alpha_chain[U-13C; U-15N; U-2H]2 mM
2beta_chain2 mM
3heme4 mM
Sample #2

Temperature 302 (±0.2) K, pH 7 (±0.2)


#NameIsotope labelingTypeConcentration
4alpha_chain2 mM
5beta_chain[U-13C; U-15N; U-2H]2 mM
6heme4 mM
Sample #3

Temperature 302 (±0.2) K, pH 7 (±0.2)


#NameIsotope labelingTypeConcentration
7alpha_chain[U-15N; U-2H]2 mM
8beta_chain2 mM
9heme4 mM
Sample #4

Temperature 302 (±0.2) K, pH 7 (±0.2)


#NameIsotope labelingTypeConcentration
10alpha_chain2 mM
11beta_chain[U-15N; U-2H]2 mM
12heme2 mM

LACS Plot; CA
Referencing offset: 0.79 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 0.79 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: -0.96 ppm, Outliers: 1 Detail
Release date
2007-06-04
Citation
Backbone resonance assignment of human adult hemoglobin in the deoxy form
Sahu, S.C., Simplaceanu, V., Ho, N.T., Giovannelli, J.L., Ho, C.
J. Biomol. NMR (2006), 36 Suppl 1, 1-1, PubMed 16703421 , DOI 10.1007/s10858-005-2455-z ,
Related entities 1. deoxy-Hb A alpha, : 1 : 100 : 1 : 6 : 100 entities Detail
Related entities 2. deoxy-Hb A beta, : 1 : 102 : 1 : 5 : 97 entities Detail
Interaction partners 1. deoxy-Hb A alpha, : 29 : 1 interactors Detail
Interaction partners 2. deoxy-Hb A beta, : 9 : 1 interactors Detail
Experiments performed 7 experiments Detail
Keywords backbone resonance assignments, deoxy-hemoglobin, protein NMR, triple resonance experiments