Search

Backbone Resonances Assignments of Human Adult Hemoglobin in the Carbonmonoxy Form
Authors
Lukin, J.A., Kontaxis, G., Simplaceanu, V., Yuan, Y., Bax, A., Ho, C.
Assembly
human normal adult hemoglobin carbonmonoxy form
Entity
1. globin subunit 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. globin subunit 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 × 2 Da
4. CMO (non-polymer), 28.010 × 2 Da
Total weight
63275.293 Da
Max. entity weight
15867.0 Da
Entity Connection
na 4 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1nasing3:HEM1:FE1:HIS87:NE2
2nasing3:HEM1:FE4:CMO1:C
3nasing3:HEM1:FE1:HIS87:NE2
4nasing3:HEM1:FE4:CMO1:C

Source organism
Homo sapiens
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 53.0 %, Completeness: 23.2 %, Completeness (bb): 40.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All23.2 % (756 of 3262)12.1 % (200 of 1659)31.8 % (415 of 1307)47.6 % (141 of 296)
Backbone40.7 % (682 of 1674)26.1 % (146 of 560)47.1 % (396 of 841)51.3 % (140 of 273)
Sidechain 9.9 % (183 of 1855) 4.9 % (54 of 1099)17.5 % (128 of 733) 4.3 % (1 of 23)
Aromatic 0.0 % (0 of 310) 0.0 % (0 of 155) 0.0 % (0 of 152) 0.0 % (0 of 3)
Methyl10.2 % (38 of 372) 5.9 % (11 of 186)14.5 % (27 of 186)

1. globin subunit alpha

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

2. globin subunit beta

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

Sample

Temperature 302.0 (±0.1) K, pH 7.0


#NameIsotope labelingTypeConcentration
1globin subunit alpha[U-2H; U-13C; U-15N]1.0 mM
2globin subunit beta[U-2H; U-13C; U-15N]1.0 mM
3Na phosphate0.1 M
4H2O90 %
5D2O10 %

Chem. Shift Complete2
Sequence coverage: 51.6 %, Completeness: 21.8 %, Completeness (bb): 39.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All21.8 % (1419 of 6524)10.5 % (347 of 3318)30.3 % (793 of 2614)47.1 % (279 of 592)
Backbone39.7 % (1328 of 3348)24.6 % (275 of 1120)46.1 % (775 of 1682)50.9 % (278 of 546)
Sidechain 7.9 % (292 of 3710) 3.3 % (72 of 2198)14.9 % (219 of 1466) 2.2 % (1 of 46)
Aromatic 0.3 % (2 of 620) 0.6 % (2 of 310) 0.0 % (0 of 304) 0.0 % (0 of 6)
Methyl 6.9 % (51 of 744) 3.2 % (12 of 372)10.5 % (39 of 372)

1. globin subunit alpha

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

2. globin subunit beta

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

Sample

Temperature 302.0 (±0.1) K, pH 7.0


#NameIsotope labelingTypeConcentration
1globin subunit alpha[U-2H; U-13C; U-15N]1.0 mM
2globin subunit beta[U-2H; U-13C; U-15N]1.0 mM
3Na phosphate0.1 M
4H2O90 %
5D2O10 %

LACS Plot; CA
Referencing offset: 0.64 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: 0.64 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: -0.45 ppm, Outliers: 1 Detail
Release date
2004-02-10
Citation 1
Backbone resonance assignments of human adult hemoglobin in the carbonmonoxy form
Ho, C., Lukin, J.A., Kontaxis, G., Simplaceanu, V., Yuan, Y., Bax, A.
J. Biomol. NMR (2004), 28, 203-204, PubMed 14755170 , DOI 10.1023/B:JNMR.0000013816.64039.6f ,
Citation 2
1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI 10.1007/bf00211777 ,
Related entities 1. globin subunit alpha, : 1 : 100 : 1 : 6 : 100 entities Detail
Related entities 2. globin subunit beta, : 1 : 102 : 1 : 5 : 97 entities Detail
Interaction partners 1. globin subunit alpha, : 29 : 1 interactors Detail
Interaction partners 2. globin subunit beta, : 9 : 1 interactors Detail
Experiments performed 1 experiments Detail
Keywords backbone assignment, Hb A in carbonmonoxy form (HbCO A), HbCO A, human normnal adult hemoglobin (Hb A), NMR, recombinant