Iron in PDB 2jho: Cyanomet Sperm Whale Myoglobin at 1.4A Resolution

The structure of Cyanomet Sperm Whale Myoglobin at 1.4A Resolution, PDB code: 2jho was solved by A.Arcovito, M.Benfatto, M.Cianci, S.S.Hasnain, K.Nienhaus, G.U.Nienhaus, C.Savino, R.W.Strange, B.Vallone, S.Della Longa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.43 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.409, 29.786, 63.633, 90.00, 104.93, 90.00
R / Rfree (%)	18 / 23.4

The structure of Cyanomet Sperm Whale Myoglobin at 1.4A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Cyanomet Sperm Whale Myoglobin at 1.4A Resolution (pdb code 2jho). 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 Cyanomet Sperm Whale Myoglobin at 1.4A Resolution, PDB code: 2jho:

Iron binding site 1 out of 1 in the Cyanomet Sperm Whale Myoglobin at 1.4A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cyanomet Sperm Whale Myoglobin at 1.4A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:20.1 occ:1.00 FE A:HEM1154 0.0 20.1 1.0 C A:CYN1155 1.9 20.8 1.0 ND A:HEM1154 2.0 18.5 1.0 NB A:HEM1154 2.0 18.3 1.0 NC A:HEM1154 2.0 18.4 1.0 NA A:HEM1154 2.0 19.8 1.0 NE2 A:HIS93 2.1 19.8 1.0 N A:CYN1155 3.0 23.2 1.0 C4A A:HEM1154 3.0 19.4 1.0 C1C A:HEM1154 3.0 17.7 1.0 CE1 A:HIS93 3.0 23.4 1.0 C4B A:HEM1154 3.0 19.2 1.0 C4C A:HEM1154 3.1 17.4 1.0 C4D A:HEM1154 3.1 19.4 1.0 C1B A:HEM1154 3.1 20.1 1.0 C1D A:HEM1154 3.1 18.8 1.0 C1A A:HEM1154 3.1 22.0 1.0 CD2 A:HIS93 3.1 17.9 1.0 CHD A:HEM1154 3.4 17.2 1.0 CHC A:HEM1154 3.4 18.9 1.0 CHB A:HEM1154 3.5 19.4 1.0 CHA A:HEM1154 3.5 21.1 1.0 ND1 A:HIS93 4.2 22.4 1.0 CG A:HIS93 4.2 19.3 1.0 C3C A:HEM1154 4.2 19.3 1.0 C2C A:HEM1154 4.3 18.1 1.0 C3A A:HEM1154 4.3 23.8 1.0 C2B A:HEM1154 4.3 20.9 1.0 C3B A:HEM1154 4.3 20.5 1.0 C2D A:HEM1154 4.3 18.9 1.0 C3D A:HEM1154 4.3 19.9 1.0 C2A A:HEM1154 4.3 22.5 1.0 NE2 A:HIS64 4.9 29.9 1.0 CG2 A:VAL68 4.9 32.5 1.0

A.Arcovito, M.Benfatto, M.Cianci, S.S.Hasnain, K.Nienhaus, G.U.Nienhaus, C.Savino, R.W.Strange, B.Vallone, S.Della Longa. X-Ray Structure Analysis of A Metalloprotein with Enhanced Active-Site Resolution Using in Situ X-Ray Absorption Near Edge Structure Spectroscopy. Proc. Natl. Acad. Sci. V. 104 6211 2007U.S.A..
ISSN: ISSN 0027-8424
PubMed: 17404234
DOI: 10.1073/PNAS.0608411104