Iron in PDB 5zeo: X-Ray Structure of Sperm Whale V21C/V66C/F46S Myoglobin Mutant with An Intramolecular Disulfide Bond

The structure of X-Ray Structure of Sperm Whale V21C/V66C/F46S Myoglobin Mutant with An Intramolecular Disulfide Bond, PDB code: 5zeo was solved by H.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.63 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.566, 47.351, 79.111, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.6

The binding sites of Iron atom in the X-Ray Structure of Sperm Whale V21C/V66C/F46S Myoglobin Mutant with An Intramolecular Disulfide Bond (pdb code 5zeo). 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 X-Ray Structure of Sperm Whale V21C/V66C/F46S Myoglobin Mutant with An Intramolecular Disulfide Bond, PDB code: 5zeo:

Iron binding site 1 out of 1 in the X-Ray Structure of Sperm Whale V21C/V66C/F46S Myoglobin Mutant with An Intramolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Sperm Whale V21C/V66C/F46S Myoglobin Mutant with An Intramolecular Disulfide Bond within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.7 occ:1.00 FE A:HEM201 0.0 20.7 1.0 NB A:HEM201 2.0 17.6 1.0 NC A:HEM201 2.0 20.2 1.0 NA A:HEM201 2.0 19.8 1.0 ND A:HEM201 2.1 20.8 1.0 NE2 A:HIS93 2.2 23.5 1.0 C1B A:HEM201 3.0 20.5 1.0 C4C A:HEM201 3.0 21.1 1.0 C1D A:HEM201 3.0 22.7 1.0 C4B A:HEM201 3.1 20.3 1.0 CE1 A:HIS93 3.1 23.3 1.0 C1C A:HEM201 3.1 20.8 1.0 C4A A:HEM201 3.1 21.9 1.0 C1A A:HEM201 3.1 17.9 1.0 C4D A:HEM201 3.1 21.1 1.0 CD2 A:HIS93 3.2 20.9 1.0 CHD A:HEM201 3.4 23.4 1.0 CHB A:HEM201 3.4 20.9 1.0 CHC A:HEM201 3.5 20.5 1.0 CHA A:HEM201 3.5 19.4 1.0 ND1 A:HIS93 4.2 22.1 1.0 C2B A:HEM201 4.3 18.4 1.0 C3C A:HEM201 4.3 20.8 1.0 C3B A:HEM201 4.3 19.8 1.0 C2C A:HEM201 4.3 20.1 1.0 C2D A:HEM201 4.3 19.1 1.0 C2A A:HEM201 4.3 19.2 1.0 C3A A:HEM201 4.3 19.5 1.0 C3D A:HEM201 4.3 22.5 1.0 CG A:HIS93 4.3 21.2 1.0 NE2 A:HIS64 4.3 25.0 0.8 CE1 A:HIS64 4.4 24.3 0.7 CG2 A:VAL68 4.5 25.4 1.0 ND1 A:HIS97 5.0 25.5 1.0

L.L.Yin, H.Yuan, K.J.Du, B.He, S.Q.Gao, G.B.Wen, X.Tan, Y.W.Lin. Regulation of Both the Structure and Function By A De Novo Designed Disulfide Bond: A Case Study of Heme Proteins in Myoglobin Chem. Commun. (Camb.) V. 54 4356 2018.
ISSN: ESSN 1364-548X
PubMed: 29645029
DOI: 10.1039/C8CC01646A