Iron in PDB 6d7k: Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit

The structure of Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit, PDB code: 6d7k was solved by H.Kim, S.J.Lee, U.-S.Cho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.29 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.781, 125.776, 126.380, 90.00, 102.89, 90.00
R / Rfree (%)	17.8 / 22.1

The binding sites of Iron atom in the Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit (pdb code 6d7k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit, PDB code: 6d7k:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:37.9 occ:1.00 OE1 A:GLU114 2.0 36.8 1.0 OE1 A:GLU144 2.1 43.1 1.0 C1 A:HEZ603 2.3 37.7 1.0 OE2 A:GLU114 2.4 49.1 1.0 CD A:GLU114 2.5 45.7 1.0 OE2 A:GLU144 2.6 41.6 1.0 CD A:GLU144 2.7 40.3 1.0 O1 A:FMT604 2.7 33.4 1.0 O1 A:HEZ603 2.8 37.7 1.0 FE A:FE602 3.1 42.2 1.0 O A:HOH755 3.2 48.5 1.0 C A:FMT604 3.7 37.2 1.0 C2 A:HEZ603 3.8 41.1 1.0 O2 A:FMT604 3.9 40.4 1.0 OE2 A:GLU209 3.9 43.1 1.0 CG A:GLU114 4.0 30.0 1.0 CG A:GLU144 4.2 35.5 1.0 OE2 A:GLU243 4.2 39.6 1.0 CE1 A:HIS246 4.3 36.3 1.0 C3 A:HEZ603 4.5 45.1 1.0 ND1 A:HIS246 4.5 34.5 1.0 H A:FMT604 4.6 44.7 1.0 CB A:GLU114 4.8 36.5 1.0 CA A:GLU114 4.8 37.9 1.0 CB A:GLU144 4.9 37.4 1.0 CB A:ALA117 4.9 34.0 1.0 CA A:GLU144 4.9 36.4 1.0 CG1 A:VAL239 5.0 40.7 1.0

Iron binding site 2 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:42.2 occ:1.00 OE2 A:GLU209 1.9 43.1 1.0 ND1 A:HIS246 2.2 34.5 1.0 OE1 A:GLU243 2.2 34.1 1.0 O1 A:HEZ603 2.2 37.7 1.0 OE2 A:GLU243 2.3 39.6 1.0 CD A:GLU243 2.5 37.0 1.0 CE1 A:HIS246 2.7 36.3 1.0 FE A:FE601 3.1 37.9 1.0 CD A:GLU209 3.1 35.5 1.0 C1 A:HEZ603 3.2 37.7 1.0 CG A:HIS246 3.4 32.1 1.0 OE2 A:GLU144 3.4 41.6 1.0 O1 A:FMT604 3.8 33.4 1.0 O A:HOH755 3.8 48.5 1.0 CG A:GLU209 3.9 27.8 1.0 OE1 A:GLU209 4.0 36.0 1.0 NE2 A:HIS246 4.0 30.6 1.0 CB A:HIS246 4.0 34.0 1.0 CG A:GLU243 4.1 36.4 1.0 NE2 A:GLN140 4.3 30.1 1.0 CD2 A:HIS246 4.3 31.8 1.0 C2 A:HEZ603 4.4 41.1 1.0 CD A:GLU144 4.5 40.3 1.0 OE1 A:GLU144 4.7 43.1 1.0 CA A:GLU243 4.8 35.1 1.0 CB A:GLU243 4.9 33.8 1.0 OE1 A:GLU114 4.9 36.8 1.0 CB A:GLU209 4.9 36.3 1.0 C A:FMT604 5.0 37.2 1.0

Iron binding site 3 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe601 b:32.6 occ:1.00 OE1 E:GLU114 2.1 42.8 1.0 OE1 E:GLU144 2.1 34.0 1.0 OE2 E:GLU114 2.3 48.4 1.0 OE2 E:GLU144 2.4 38.0 1.0 O2 E:FMT604 2.4 33.8 1.0 CD E:GLU114 2.5 40.1 1.0 O E:HOH701 2.5 40.3 1.0 CD E:GLU144 2.6 37.0 1.0 C6 E:HEZ603 3.0 31.9 1.0 O6 E:HEZ603 3.2 28.4 1.0 FE E:FE602 3.2 37.4 1.0 C E:FMT604 3.5 31.6 1.0 CG E:GLU114 4.0 38.3 1.0 H E:FMT604 4.1 37.9 1.0 O1 E:FMT604 4.2 35.9 1.0 CG E:GLU144 4.2 28.4 1.0 CE1 E:HIS246 4.2 33.5 1.0 OE2 E:GLU243 4.3 34.5 1.0 OE2 E:GLU209 4.4 33.1 1.0 C5 E:HEZ603 4.5 36.4 1.0 ND1 E:HIS246 4.5 33.1 1.0 CB E:GLU114 4.7 39.0 1.0 CA E:GLU114 4.8 34.5 1.0 CB E:GLU144 4.9 30.9 1.0 CA E:GLU144 4.9 35.8 1.0 CB E:ALA117 5.0 33.3 1.0 ND1 E:HIS147 5.0 40.1 1.0

Iron binding site 4 out of 4 in the Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex Structure of Methane Monooxygenase Hydroxylase in Complex with Inhibitory Subunit within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe602 b:37.4 occ:1.00 OE2 E:GLU209 2.0 33.1 1.0 ND1 E:HIS246 2.1 33.1 1.0 OE1 E:GLU243 2.2 35.3 1.0 OE2 E:GLU243 2.2 34.5 1.0 CD E:GLU243 2.5 32.4 1.0 O6 E:HEZ603 2.5 28.4 1.0 CE1 E:HIS246 2.7 33.5 1.0 CD E:GLU209 3.2 34.4 1.0 FE E:FE601 3.2 32.6 1.0 CG E:HIS246 3.4 34.2 1.0 OE2 E:GLU144 3.4 38.0 1.0 C6 E:HEZ603 3.7 31.9 1.0 O2 E:FMT604 3.9 33.8 1.0 CG E:GLU209 3.9 31.2 1.0 CB E:HIS246 4.0 33.0 1.0 NE2 E:HIS246 4.0 32.4 1.0 CG E:GLU243 4.1 35.5 1.0 NE2 E:GLN140 4.2 31.6 1.0 OE1 E:GLU209 4.2 29.2 1.0 O E:HOH701 4.3 40.3 1.0 CD2 E:HIS246 4.3 34.5 1.0 H E:FMT604 4.4 37.9 1.0 C E:FMT604 4.4 31.6 1.0 CD E:GLU144 4.5 37.0 1.0 OE1 E:GLU144 4.8 34.0 1.0 CB E:GLU209 4.9 32.4 1.0 CA E:GLU243 4.9 34.0 1.0 C5 E:HEZ603 4.9 36.4 1.0 CB E:GLU243 5.0 33.1 1.0

H.Kim, S.An, Y.R.Park, H.Jang, H.Yoo, S.H.Park, S.J.Lee, U.S.Cho. Mmod-Induced Structural Changes of Hydroxylase in Soluble Methane Monooxygenase. Sci Adv V. 5 X0059 2019.
ISSN: ESSN 2375-2548
PubMed: 31616787
DOI: 10.1126/SCIADV.AAX0059