Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin

Summary for 3KMF

DescriptorHemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... (4 entities in total)
Functional Keywordshemolgobin, t-state, deoxy, histidine, protonation, heme, iron, metal-binding, oxygen transport, transport, oxygen storage
Biological sourceHomo sapiens (human)
Total number of polymer chains4
Total molecular weight64547.05
Kovalevsky, A.Y.,Morimoto, Y.,Chatake, T. (deposition date: 2009-11-10, release date: 2010-04-21, Last modification date: 2018-06-13)
Primary citation
Kovalevsky, A.Y.,Chatake, T.,Shibayama, N.,Park, S.Y.,Ishikawa, T.,Mustyakimov, M.,Fisher, Z.,Langan, P.,Morimoto, Y.
Direct Determination of Protonation States of Histidine Residues in a 2 A Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications for the Bohr Effect.
J.Mol.Biol., 398:276-291, 2010
PubMed: 20230836 (PDB entries with the same primary citation)
DOI: 10.1016/j.jmb.2010.03.016
MImport into Mendeley
Experimental method
NMR Information

Structure validation

ClashscoreRamachandran outliersSidechain outliers40.5%4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3kmf
no rotation
Molmil generated image of 3kmf
rotated about x axis by 90°
Molmil generated image of 3kmf
rotated about y axis by 90°