Iron in PDB 6b9s: Mpns Crystallized in the Absence of Substrate

All present enzymatic activity of Mpns Crystallized in the Absence of Substrate:
1.13.11.73;

The structure of Mpns Crystallized in the Absence of Substrate, PDB code: 6b9s was solved by D.A.Born, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.03 / 2.37
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	352.382, 53.166, 260.119, 90.00, 122.34, 90.00
R / Rfree (%)	20.3 / 24.1

The binding sites of Iron atom in the Mpns Crystallized in the Absence of Substrate (pdb code 6b9s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Mpns Crystallized in the Absence of Substrate, PDB code: 6b9s:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Mpns Crystallized in the Absence of Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mpns Crystallized in the Absence of Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:63.0 occ:1.00 NE2 A:HIS190 2.4 37.6 1.0 OE1 A:GLN152 2.5 36.6 1.0 O B:HOH504 2.5 44.0 1.0 O A:HOH776 2.5 46.6 1.0 NE2 A:HIS148 2.6 41.1 1.0 CE1 A:HIS190 3.3 37.3 1.0 O A:HOH721 3.3 45.9 1.0 CD2 A:HIS148 3.4 41.2 1.0 CD2 A:HIS190 3.4 34.7 1.0 CD A:GLN152 3.4 36.6 1.0 O B:HOH513 3.5 48.3 1.0 CE1 A:HIS148 3.6 39.6 1.0 NZ B:LYS28 3.6 55.1 1.0 NE2 A:GLN152 3.7 32.8 1.0 ND2 A:ASN145 4.1 38.6 1.0 ND1 A:HIS190 4.5 34.2 1.0 CG A:HIS190 4.6 34.6 1.0 CG A:HIS148 4.6 41.0 1.0 ND1 A:HIS148 4.7 39.2 1.0 CE B:LYS28 4.7 52.5 1.0 CE2 A:PHE192 4.8 30.7 1.0 CG A:GLN152 4.8 34.9 1.0 CG2 A:THR208 5.0 38.8 1.0

Iron binding site 2 out of 5 in the Mpns Crystallized in the Absence of Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mpns Crystallized in the Absence of Substrate within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:54.6 occ:0.70 OE1 D:GLN152 2.3 39.0 1.0 NE2 D:HIS190 2.3 36.5 1.0 O D:HOH610 2.3 44.2 1.0 NE2 D:HIS148 2.5 39.2 0.7 CE1 D:HIS190 3.0 37.3 1.0 O D:HOH805 3.0 47.7 1.0 CD D:GLN152 3.2 34.2 1.0 CD2 D:HIS148 3.4 37.9 0.7 CD2 D:HIS190 3.4 34.1 1.0 CE1 D:HIS148 3.4 37.4 0.7 NE2 D:GLN152 3.5 32.5 1.0 ND1 D:HIS190 4.2 37.1 1.0 OE1 D:GLU124 4.3 46.0 1.0 ND2 D:ASN145 4.4 38.5 1.0 CG D:HIS190 4.4 35.3 1.0 ND1 D:HIS148 4.5 38.4 0.7 CG D:HIS148 4.6 38.7 0.7 CD2 D:HIS148 4.6 38.5 0.3 CG D:GLN152 4.6 33.9 1.0 O D:HOH666 4.7 47.7 1.0 CD1 D:ILE184 4.8 35.1 1.0 CE2 D:PHE192 4.9 29.7 1.0 CG2 D:THR208 5.0 33.0 1.0

Iron binding site 3 out of 5 in the Mpns Crystallized in the Absence of Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mpns Crystallized in the Absence of Substrate within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:72.6 occ:1.00 OE1 C:GLN152 2.3 48.1 1.0 O C:HOH763 2.5 47.6 1.0 NE2 C:HIS190 2.5 43.0 1.0 NE2 C:HIS148 2.6 49.7 1.0 O C:HOH761 2.7 46.6 1.0 CD C:GLN152 3.2 44.6 1.0 CE1 C:HIS190 3.3 41.7 1.0 O C:HOH714 3.4 51.0 1.0 NE2 C:GLN152 3.5 42.3 1.0 CE1 C:HIS148 3.5 47.2 1.0 CD2 C:HIS148 3.5 48.1 1.0 CD2 C:HIS190 3.6 39.5 1.0 O C:HOH684 4.5 52.1 1.0 ND1 C:HIS190 4.5 38.1 1.0 ND2 C:ASN145 4.5 45.1 1.0 CG C:GLN152 4.6 40.5 1.0 CG C:HIS190 4.6 38.1 1.0 ND1 C:HIS148 4.7 49.4 1.0 CG C:HIS148 4.7 48.3 1.0 CG2 C:THR208 4.8 45.4 1.0 CD1 C:ILE184 4.9 39.6 1.0

Iron binding site 4 out of 5 in the Mpns Crystallized in the Absence of Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mpns Crystallized in the Absence of Substrate within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe501 b:62.9 occ:1.00 NE2 G:HIS190 2.3 39.3 1.0 OE1 G:GLN152 2.3 43.0 1.0 NE2 G:HIS148 2.4 47.4 1.0 O G:HOH761 2.7 46.1 1.0 O G:HOH753 2.9 45.1 1.0 CE1 G:HIS190 3.1 39.7 1.0 CD G:GLN152 3.3 39.9 1.0 CD2 G:HIS190 3.3 37.1 1.0 CD2 G:HIS148 3.4 45.5 1.0 CE1 G:HIS148 3.4 45.1 1.0 NE2 G:GLN152 3.6 37.9 1.0 ND2 G:ASN145 4.2 40.9 1.0 ND1 G:HIS190 4.3 38.5 1.0 CG G:HIS190 4.4 37.1 1.0 ND1 G:HIS148 4.5 47.8 1.0 CG G:HIS148 4.5 47.5 1.0 CG G:GLN152 4.7 39.0 1.0 CE2 G:PHE192 5.0 33.3 1.0

Iron binding site 5 out of 5 in the Mpns Crystallized in the Absence of Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Mpns Crystallized in the Absence of Substrate within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe501 b:55.7 occ:1.00 NE2 E:HIS190 2.2 48.6 1.0 NE2 E:HIS148 2.3 56.0 1.0 OE1 E:GLN152 2.3 50.6 1.0 O E:HOH717 2.7 45.3 1.0 O E:HOH716 2.8 44.4 1.0 CD2 E:HIS148 3.0 55.4 1.0 CE1 E:HIS190 3.1 46.3 1.0 O E:HOH725 3.3 52.5 1.0 CD2 E:HIS190 3.3 44.1 1.0 CD E:GLN152 3.4 46.7 1.0 CE1 E:HIS148 3.5 55.3 1.0 NE2 E:GLN152 3.8 44.2 1.0 ND2 E:ASN145 4.1 46.0 1.0 CG E:HIS148 4.2 56.8 1.0 ND1 E:HIS190 4.3 45.5 1.0 O E:HOH602 4.4 49.4 1.0 CG E:HIS190 4.4 44.5 1.0 ND1 E:HIS148 4.4 57.6 1.0 CG E:GLN152 4.7 47.2 1.0 CD1 E:ILE184 4.8 46.5 1.0 CG2 E:THR208 5.0 52.3 1.0

D.A.Born, E.C.Ulrich, K.S.Ju, S.C.Peck, W.A.Van Der Donk, C.L.Drennan. Structural Basis For Methylphosphonate Biosynthesis. Science V. 358 1336 2017.
ISSN: ESSN 1095-9203
PubMed: 29217579
DOI: 10.1126/SCIENCE.AAO3435