Iron in PDB 6m8f: Engineered Sperm Whale Myoglobin-Based Carbene Transferase

The structure of Engineered Sperm Whale Myoglobin-Based Carbene Transferase, PDB code: 6m8f was solved by J.P.Bacik, N.Ando, R.Fasan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.16 / 1.10
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.780, 90.780, 45.580, 90.00, 90.00, 120.00
R / Rfree (%)	12.6 / 14.6

The binding sites of Iron atom in the Engineered Sperm Whale Myoglobin-Based Carbene Transferase (pdb code 6m8f). 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 Engineered Sperm Whale Myoglobin-Based Carbene Transferase, PDB code: 6m8f:

Iron binding site 1 out of 1 in the Engineered Sperm Whale Myoglobin-Based Carbene Transferase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Engineered Sperm Whale Myoglobin-Based Carbene Transferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:8.4 occ:1.00 FE A:HEM202 0.0 8.4 1.0 ND A:HEM202 2.0 9.3 1.0 NA A:HEM202 2.0 8.8 1.0 NB A:HEM202 2.0 8.3 1.0 NC A:HEM202 2.0 8.5 1.0 NE2 A:HIS93 2.1 8.8 1.0 O A:HOH395 2.2 11.8 1.0 CE1 A:HIS93 3.0 9.2 1.0 C4D A:HEM202 3.0 9.4 1.0 C1A A:HEM202 3.0 9.0 1.0 C1D A:HEM202 3.1 9.4 1.0 C4B A:HEM202 3.1 8.5 1.0 C1B A:HEM202 3.1 8.3 1.0 C1C A:HEM202 3.1 9.2 1.0 C4A A:HEM202 3.1 8.0 1.0 C4C A:HEM202 3.1 8.8 1.0 CD2 A:HIS93 3.1 7.8 1.0 HE1 A:HIS93 3.2 11.0 1.0 HD2 A:HIS93 3.3 9.4 1.0 CHA A:HEM202 3.4 9.2 1.0 CHD A:HEM202 3.4 9.4 1.0 CHB A:HEM202 3.4 8.3 1.0 CHC A:HEM202 3.4 9.0 1.0 O A:HOH398 4.2 12.9 1.0 ND1 A:HIS93 4.2 9.5 1.0 CG A:HIS93 4.3 8.7 1.0 C3D A:HEM202 4.3 10.1 1.0 C2D A:HEM202 4.3 10.8 1.0 C2A A:HEM202 4.3 9.6 1.0 C2B A:HEM202 4.3 8.2 1.0 C3A A:HEM202 4.3 8.8 1.0 C3B A:HEM202 4.3 8.5 1.0 C3C A:HEM202 4.3 9.5 1.0 C2C A:HEM202 4.3 9.4 1.0 HB2 A:ALA68 4.4 11.4 1.0 HHA A:HEM202 4.4 11.0 1.0 HHD A:HEM202 4.4 11.3 1.0 HHB A:HEM202 4.4 9.9 1.0 HHC A:HEM202 4.4 10.8 1.0 HD11 A:LEU89 4.5 17.0 1.0 HD2 A:HIS97 4.7 14.8 1.0 HG13 A:ILE99 4.7 14.2 1.0 HZ A:PHE43 4.8 17.8 1.0 HE1 A:PHE43 4.8 17.2 1.0 HB1 A:ALA68 4.9 11.4 1.0 HD1 A:HIS93 5.0 11.4 1.0

A.Tinoco, Y.Wei, J.P.Bacik, D.M.Carminati, E.J.Moore, N.Ando, Y.Zhang, R.Fasan. Origin of High Stereocontrol in Olefin Cyclopropanation Catalyzed By An Engineered Carbene Transferase. Acs Catalysis V. 9 1514 2019.
ISSN: ESSN 2155-5435
PubMed: 31134138
DOI: 10.1021/ACSCATAL.8B04073