Iron in PDB 4lpi: A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Distal Hydrogen-Bonding Network

The structure of A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Distal Hydrogen-Bonding Network, PDB code: 4lpi was solved by Y.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.55 / 1.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.884, 48.184, 78.458, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 19.9

The binding sites of Iron atom in the A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Distal Hydrogen-Bonding Network (pdb code 4lpi). 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 A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Distal Hydrogen-Bonding Network, PDB code: 4lpi:

Iron binding site 1 out of 1 in the A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Distal Hydrogen-Bonding Network


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Distal Hydrogen-Bonding Network within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.2 occ:1.00 FE A:HEM201 0.0 7.2 1.0 NA A:HEM201 2.0 7.0 1.0 NB A:HEM201 2.0 6.7 1.0 ND A:HEM201 2.0 7.9 1.0 NC A:HEM201 2.1 6.4 1.0 NE2 A:HIS93 2.1 6.1 1.0 O A:HOH474 2.1 10.0 1.0 CE1 A:HIS93 3.0 7.9 1.0 C4D A:HEM201 3.0 7.4 1.0 C1B A:HEM201 3.0 5.9 1.0 C1D A:HEM201 3.0 8.0 1.0 C1A A:HEM201 3.1 6.2 1.0 C4A A:HEM201 3.1 6.4 1.0 C4B A:HEM201 3.1 7.4 1.0 C4C A:HEM201 3.1 6.3 1.0 C1C A:HEM201 3.1 6.0 1.0 CD2 A:HIS93 3.2 7.4 1.0 CHD A:HEM201 3.4 7.8 1.0 CHB A:HEM201 3.4 6.9 1.0 CHA A:HEM201 3.4 7.0 1.0 CHC A:HEM201 3.5 7.2 1.0 ND1 A:HIS93 4.1 8.3 1.0 O A:HOH303 4.2 20.9 1.0 CG A:HIS93 4.3 8.1 1.0 C3B A:HEM201 4.3 7.1 1.0 C2B A:HEM201 4.3 6.1 1.0 C2D A:HEM201 4.3 8.7 1.0 C3D A:HEM201 4.3 11.0 1.0 C2A A:HEM201 4.3 6.0 1.0 C3C A:HEM201 4.3 7.7 1.0 C3A A:HEM201 4.3 7.1 1.0 C2C A:HEM201 4.3 7.5 1.0 NE2 A:HIS64 4.4 10.6 1.0 OH A:TYR43 4.5 20.0 1.0 CG2 A:VAL68 4.7 8.1 1.0 CE1 A:HIS64 4.8 12.3 1.0 CD2 A:HIS97 5.0 9.2 1.0

Y.Lin, J.Wang, Y.Lu. Functional Tuning and Expanding of Myoglobin By Rational Protein Design Sci China Chem V. 57 346 2014.
ISSN: ISSN 1674-7291
DOI: 10.1007/S11426-014-5063-5