Iron in PDB 4fwx: Aquoferric F33Y Cub Myoglobin (F33Y L29H F43H Sperm Whale Myoglobin)

The structure of Aquoferric F33Y Cub Myoglobin (F33Y L29H F43H Sperm Whale Myoglobin), PDB code: 4fwx was solved by Y.-G.Gao, D.Stoner-Ma, H.Robinson, I.D.Petrik, K.D.Miner, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.57 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.219, 47.718, 77.089, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 26.6

The binding sites of Iron atom in the Aquoferric F33Y Cub Myoglobin (F33Y L29H F43H Sperm Whale Myoglobin) (pdb code 4fwx). 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 Aquoferric F33Y Cub Myoglobin (F33Y L29H F43H Sperm Whale Myoglobin), PDB code: 4fwx:

Iron binding site 1 out of 1 in the Aquoferric F33Y Cub Myoglobin (F33Y L29H F43H Sperm Whale Myoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Aquoferric F33Y Cub Myoglobin (F33Y L29H F43H Sperm Whale Myoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:24.5 occ:1.00 FE A:HEM201 0.0 24.5 1.0 NA A:HEM201 2.0 23.6 1.0 NC A:HEM201 2.0 21.8 1.0 NE2 A:HIS93 2.0 19.7 1.0 ND A:HEM201 2.1 24.8 1.0 NB A:HEM201 2.1 23.5 1.0 O A:HOH322 2.2 30.9 1.0 CE1 A:HIS93 3.0 21.0 1.0 C1C A:HEM201 3.0 21.1 1.0 C4B A:HEM201 3.1 20.6 1.0 C1D A:HEM201 3.1 25.2 1.0 C1A A:HEM201 3.1 19.9 1.0 C4A A:HEM201 3.1 23.1 1.0 C4D A:HEM201 3.1 25.2 1.0 CD2 A:HIS93 3.1 20.8 1.0 C4C A:HEM201 3.1 22.5 1.0 C1B A:HEM201 3.1 21.4 1.0 CHC A:HEM201 3.4 20.7 1.0 CHD A:HEM201 3.5 22.0 1.0 CHA A:HEM201 3.5 23.0 1.0 CHB A:HEM201 3.5 18.8 1.0 O A:HOH323 4.1 31.4 1.0 ND1 A:HIS93 4.2 19.9 1.0 CG A:HIS93 4.3 20.4 1.0 C2A A:HEM201 4.3 22.7 1.0 C2C A:HEM201 4.4 21.9 1.0 C3C A:HEM201 4.4 22.4 1.0 C3B A:HEM201 4.4 19.7 1.0 C3A A:HEM201 4.4 21.8 1.0 C2D A:HEM201 4.4 26.2 1.0 C3D A:HEM201 4.4 28.3 1.0 C2B A:HEM201 4.4 18.6 1.0 CG2 A:VAL68 4.5 20.9 1.0 NE2 A:HIS64 4.5 31.3 1.0 CE1 A:HIS64 4.7 33.6 1.0

K.D.Miner, A.Mukherjee, Y.G.Gao, E.L.Null, I.D.Petrik, X.Zhao, N.Yeung, H.Robinson, Y.Lu. A Designed Functional Metalloenzyme That Reduces O(2) to H(2) O with Over One Thousand Turnovers. Angew.Chem.Int.Ed.Engl. V. 51 5589 2012.
ISSN: ISSN 1433-7851
PubMed: 22539151
DOI: 10.1002/ANIE.201201981