Iron in PDB 3e5i: Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser Off

The structure of Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser Off, PDB code: 3e5i was solved by A.Tomita, T.Sato, K.Ichiyanagi, S.Nozawa, H.Ichikawa, M.Chollet, F.Kawai, S.-Y.Park, S.Koshihara, S.Adachi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.06 / 1.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.536, 30.847, 63.897, 90.00, 105.65, 90.00
R / Rfree (%)	15.3 / 20.7

The binding sites of Iron atom in the Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser Off (pdb code 3e5i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser Off, PDB code: 3e5i:

Iron binding site 1 out of 1 in the Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser Off


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser Off within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:9.4 occ:1.00 FE A:HEM154 0.0 9.4 1.0 C A:CMO155 1.9 10.8 1.0 NB A:HEM154 2.0 8.8 1.0 NC A:HEM154 2.0 8.7 1.0 ND A:HEM154 2.0 8.5 1.0 NA A:HEM154 2.1 10.0 1.0 NE2 A:HIS93 2.1 8.0 1.0 O A:CMO155 3.0 13.4 1.0 C4B A:HEM154 3.0 8.8 1.0 C1D A:HEM154 3.0 9.3 1.0 C1C A:HEM154 3.1 8.4 1.0 CE1 A:HIS93 3.1 11.2 1.0 C4D A:HEM154 3.1 10.3 1.0 C1B A:HEM154 3.1 8.6 1.0 C4C A:HEM154 3.1 8.6 1.0 C1A A:HEM154 3.1 8.7 1.0 CD2 A:HIS93 3.1 8.7 1.0 C4A A:HEM154 3.2 9.1 1.0 CHC A:HEM154 3.4 9.7 1.0 CHD A:HEM154 3.4 9.4 1.0 CHA A:HEM154 3.4 10.9 1.0 CHB A:HEM154 3.4 9.7 1.0 ND1 A:HIS93 4.2 11.8 1.0 CG A:HIS93 4.3 10.0 1.0 C3C A:HEM154 4.3 7.3 1.0 C2D A:HEM154 4.3 10.9 1.0 C2C A:HEM154 4.3 7.8 1.0 C2B A:HEM154 4.3 9.1 1.0 C3B A:HEM154 4.3 9.9 1.0 C2A A:HEM154 4.3 10.1 1.0 C3D A:HEM154 4.4 11.2 1.0 C3A A:HEM154 4.4 10.7 1.0 NE2 A:HIS64 4.6 13.8 1.0 CG2 A:VAL68 4.7 10.2 1.0

A.Tomita, T.Sato, K.Ichiyanagi, S.Nozawa, H.Ichikawa, M.Chollet, F.Kawai, S.-Y.Park, T.Tsuduki, T.Yamato, S.Koshihara, S.Adachi. Visualizing Breathing Motion of Internal Cavities in Concert with Ligand Migration in Myoglobin Proc.Natl.Acad.Sci.Usa V. 106 2612 2009.
ISSN: ISSN 0027-8424
PubMed: 19204297
DOI: 10.1073/PNAS.0807774106