Iron in PDB 5c6y: A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Tyr-Heme Cross-Link

The structure of A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Tyr-Heme Cross-Link, PDB code: 5c6y was solved by H.Yuan, Y.W.Lin, X.S.Tan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.26 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.062, 48.348, 79.141, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.1

The binding sites of Iron atom in the A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Tyr-Heme Cross-Link (pdb code 5c6y). 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 Tyr-Heme Cross-Link, PDB code: 5c6y:

Iron binding site 1 out of 1 in the A Sperm Whale Myoglobin Double Mutant L29H/F43Y Mb with A Tyr-Heme Cross-Link


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 Tyr-Heme Cross-Link within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.6 occ:1.00 FE A:HEM201 0.0 13.6 1.0 ND A:HEM201 1.9 14.1 1.0 NA A:HEM201 2.0 16.1 1.0 NB A:HEM201 2.1 14.2 1.0 NC A:HEM201 2.1 15.5 1.0 NE2 A:HIS93 2.1 14.9 1.0 O A:HOH336 2.2 21.2 1.0 C4D A:HEM201 2.9 14.8 1.0 C1D A:HEM201 2.9 16.6 1.0 C4B A:HEM201 3.0 14.6 1.0 C4A A:HEM201 3.0 12.8 1.0 CE1 A:HIS93 3.0 15.2 1.0 C1A A:HEM201 3.1 13.0 1.0 C1B A:HEM201 3.1 14.0 1.0 C1C A:HEM201 3.1 13.6 1.0 C4C A:HEM201 3.1 14.7 1.0 CD2 A:HIS93 3.2 14.2 1.0 CHD A:HEM201 3.4 16.7 1.0 CHA A:HEM201 3.4 13.8 1.0 CHB A:HEM201 3.4 13.0 1.0 CHC A:HEM201 3.4 13.0 1.0 O A:HOH388 4.2 30.7 1.0 C2D A:HEM201 4.2 18.3 1.0 ND1 A:HIS93 4.2 15.2 1.0 C2A A:HEM201 4.2 15.8 1.0 C3D A:HEM201 4.2 18.2 1.0 C3A A:HEM201 4.2 14.0 1.0 C2C A:HEM201 4.3 17.0 1.0 C2B A:HEM201 4.3 13.7 1.0 C3B A:HEM201 4.3 12.8 1.0 C3C A:HEM201 4.3 18.3 1.0 CG A:HIS93 4.3 12.8 1.0 NE2 A:HIS64 4.5 19.6 1.0 CG2 A:VAL68 4.6 13.2 1.0 CE1 A:HIS64 4.6 19.1 1.0

D.J.Yan, H.Yuan, W.Li, Y.Xiang, B.He, C.M.Nie, G.B.Wen, Y.W.Lin, X.S.Tan. How A Novel Tyrosine-Heme Cross-Link Fine-Tunes the Structure and Functions of Heme Proteins: A Direct Comparitive Study of L29H/F43Y Myoglobin Dalton Trans V. 44 18815 2015.
ISSN: ESSN 1477-9234
PubMed: 26458300
DOI: 10.1039/C5DT03040D