Iron in PDB 6ls3: Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg

All present enzymatic activity of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg:
1.16.3.2;

The structure of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg, PDB code: 6ls3 was solved by G.Zhao, X.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	138.70 / 2.82
Space group	H 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	171.737, 171.737, 384.289, 90, 90, 120
R / Rfree (%)	18.7 / 24.3

The structure of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Iron atom in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg (pdb code 6ls3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 15 binding sites of Iron where determined in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg, PDB code: 6ls3:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:76.4 occ:1.00 OE1 B:GLU19 2.3 67.2 1.0 ND1 B:HIS55 2.4 60.6 1.0 OE1 B:GLU52 2.5 62.7 1.0 FE B:FE202 2.8 89.7 1.0 CD B:GLU19 3.0 62.3 1.0 OE2 B:GLU19 3.1 59.7 1.0 CE1 B:HIS55 3.2 64.0 1.0 CD B:GLU52 3.4 61.4 1.0 CG B:HIS55 3.5 57.2 1.0 NE2 B:GLN129 3.5 59.7 1.0 OE2 B:GLU52 3.6 62.0 1.0 CB B:HIS55 3.9 55.3 1.0 NE2 B:HIS55 4.3 70.4 1.0 CD2 B:HIS55 4.5 59.2 1.0 CG B:GLU19 4.5 58.1 1.0 OE1 B:GLU96 4.6 70.6 1.0 CG1 B:VAL99 4.6 60.9 1.0 CD B:GLN129 4.6 61.8 1.0 CG B:GLU52 4.8 51.3 1.0 CA B:GLU52 4.9 54.4 1.0 OE1 B:GLN129 5.0 63.5 1.0

Iron binding site 2 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:89.7 occ:1.00 OE2 B:GLU52 2.2 62.0 1.0 OE1 B:GLU96 2.6 70.6 1.0 OE2 B:GLU96 2.7 67.9 1.0 FE B:FE201 2.8 76.4 1.0 OE1 B:GLU132 2.9 70.8 1.0 CD B:GLU96 3.0 67.8 1.0 CD B:GLU52 3.0 61.4 1.0 OE1 B:GLU52 3.2 62.7 1.0 CD B:GLU132 3.6 72.0 1.0 CG B:GLU132 3.7 62.3 1.0 CE1 B:HIS55 3.9 64.0 1.0 NE2 B:GLN48 4.0 61.3 1.0 ND1 B:HIS55 4.0 60.6 1.0 NE2 B:GLN129 4.1 59.7 1.0 CB B:GLU132 4.1 61.2 1.0 CG B:GLU52 4.5 51.3 1.0 OE1 B:GLN129 4.5 63.5 1.0 CG B:GLU96 4.5 64.9 1.0 OE2 B:GLU132 4.6 78.6 1.0 CE2 B:TYR26 4.7 55.6 1.0 OH B:TYR26 4.7 74.8 1.0 CD B:GLN129 4.7 61.8 1.0 OE1 B:GLU19 4.8 67.2 1.0

Iron binding site 3 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:75.6 occ:1.00 OE1 E:GLU52 2.2 63.4 1.0 OE1 E:GLU19 2.2 61.5 1.0 ND1 E:HIS55 2.5 54.6 1.0 CD E:GLU19 3.1 65.1 1.0 CD E:GLU52 3.1 65.6 1.0 FE E:FE202 3.3 98.9 1.0 OE2 E:GLU19 3.3 67.1 1.0 CE1 E:HIS55 3.3 60.8 1.0 OE2 E:GLU52 3.4 68.5 1.0 CG E:HIS55 3.5 56.9 1.0 NE2 E:GLN129 3.7 70.9 1.0 CB E:HIS55 3.8 54.5 1.0 NE2 E:HIS55 4.4 62.2 1.0 CG E:GLU19 4.5 63.1 1.0 CG E:GLU52 4.5 59.7 1.0 CD2 E:HIS55 4.6 55.8 1.0 CD E:GLN129 4.7 69.7 1.0 OE1 E:GLU96 4.8 59.6 1.0 OE2 E:GLU96 4.9 72.6 1.0 CA E:GLU52 4.9 54.6 1.0 CB E:GLU52 4.9 56.7 1.0 CG2 E:VAL99 5.0 70.7 1.0 CB E:GLU19 5.0 60.2 1.0 OE1 E:GLN129 5.0 64.7 1.0

Iron binding site 4 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe202 b:98.9 occ:1.00 OE2 E:GLU52 1.9 68.5 1.0 OE1 E:GLU96 2.4 59.6 1.0 OE2 E:GLU96 2.6 72.6 1.0 CD E:GLU96 2.7 68.3 1.0 CD E:GLU52 2.9 65.6 1.0 OE1 E:GLU132 3.2 76.9 1.0 FE E:FE201 3.3 75.6 1.0 OE1 E:GLU52 3.3 63.4 1.0 NE2 E:GLN48 3.8 65.0 1.0 CB E:GLU132 3.9 63.2 1.0 CG E:GLU132 4.0 73.2 1.0 CD E:GLU132 4.0 79.6 1.0 CG E:GLU96 4.1 66.0 1.0 CG E:GLU52 4.3 59.7 1.0 OH E:TYR26 4.3 72.2 1.0 CE1 E:HIS55 4.3 60.8 1.0 NE2 E:GLN129 4.3 70.9 1.0 ND1 E:HIS55 4.4 54.6 1.0 CE2 E:TYR26 4.4 59.2 1.0 OE1 E:GLN129 4.6 64.7 1.0 CZ E:TYR26 4.8 58.8 1.0 CD E:GLN129 4.9 69.7 1.0 CD E:GLN48 4.9 62.6 1.0

Iron binding site 5 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:77.5 occ:1.00 OE1 A:GLU19 2.2 64.5 1.0 ND1 A:HIS55 2.2 59.5 1.0 OE1 A:GLU52 2.3 57.8 1.0 CD A:GLU19 2.9 66.4 1.0 OE2 A:GLU19 3.0 70.5 1.0 CE1 A:HIS55 3.1 59.9 1.0 FE A:FE202 3.2 98.8 1.0 CG A:HIS55 3.3 62.6 1.0 CD A:GLU52 3.4 59.2 1.0 NE2 A:GLN129 3.6 66.5 1.0 OE2 A:GLU52 3.7 60.5 1.0 CB A:HIS55 3.7 53.0 1.0 NE2 A:HIS55 4.2 62.8 1.0 CD2 A:HIS55 4.4 57.9 1.0 CG A:GLU19 4.4 58.1 1.0 CG1 A:VAL99 4.6 65.5 1.0 CD A:GLN129 4.7 70.3 1.0 CG A:GLU52 4.7 51.7 1.0 OE2 A:GLU96 4.8 68.3 1.0 OE1 A:GLN129 4.9 72.0 1.0 CB A:GLU19 4.9 56.9 1.0 CA A:GLU52 5.0 48.8 1.0

Iron binding site 6 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:98.8 occ:1.00 OE2 A:GLU52 2.2 60.5 1.0 OE2 A:GLU96 2.4 68.3 1.0 OE1 A:GLU96 2.5 70.7 1.0 CD A:GLU96 2.7 67.0 1.0 OE1 A:GLU132 2.9 77.2 1.0 CD A:GLU52 3.1 59.2 1.0 FE A:FE201 3.2 77.5 1.0 OE1 A:GLU52 3.3 57.8 1.0 CD A:GLU132 3.8 77.4 1.0 CG A:GLU132 3.8 68.2 1.0 CB A:GLU132 4.0 68.9 1.0 NE2 A:GLN48 4.0 60.1 1.0 CG A:GLU96 4.1 65.5 1.0 NE2 A:GLN129 4.2 66.5 1.0 CE1 A:HIS55 4.2 59.9 1.0 OE1 A:GLN129 4.3 72.0 1.0 ND1 A:HIS55 4.3 59.5 1.0 OH A:TYR26 4.4 78.7 1.0 CG A:GLU52 4.5 51.7 1.0 CE2 A:TYR26 4.7 60.2 1.0 CD A:GLN129 4.7 70.3 1.0 OE2 A:GLU132 5.0 82.0 1.0 OE1 A:GLU19 5.0 64.5 1.0

Iron binding site 7 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:78.8 occ:1.00 ND1 C:HIS55 2.3 61.2 1.0 OE1 C:GLU19 2.4 67.5 1.0 OE1 C:GLU52 2.4 57.4 1.0 OE2 C:GLU19 2.8 69.6 1.0 CD C:GLU19 2.9 64.8 1.0 FE C:FE202 3.0 94.1 1.0 NE2 C:GLN129 3.0 61.1 1.0 CE1 C:HIS55 3.2 63.8 1.0 CG C:HIS55 3.4 61.0 1.0 CD C:GLU52 3.4 61.8 1.0 CB C:HIS55 3.7 57.0 1.0 OE2 C:GLU52 3.7 61.9 1.0 NE2 C:HIS55 4.3 71.8 1.0 CG C:GLU19 4.3 54.5 1.0 CD C:GLN129 4.3 67.1 1.0 CD2 C:HIS55 4.4 59.5 1.0 CG1 C:VAL99 4.8 59.8 1.0 CG C:GLU52 4.8 60.1 1.0 OE1 C:GLU96 4.9 65.3 1.0 OE1 C:GLN129 4.9 60.2 1.0 CA C:GLU52 4.9 50.0 1.0 CB C:GLU19 5.0 55.1 1.0

Iron binding site 8 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:94.1 occ:1.00 OE2 C:GLU52 2.5 61.9 1.0 OE2 C:GLU96 2.5 63.7 1.0 OE1 C:GLU96 2.9 65.3 1.0 FE C:FE201 3.0 78.8 1.0 OE1 C:GLU132 3.0 76.3 1.0 CD C:GLU96 3.0 64.8 1.0 CD C:GLU52 3.3 61.8 1.0 CD C:GLU132 3.3 74.4 1.0 OE1 C:GLU52 3.3 57.4 1.0 CG C:GLU132 3.5 60.6 1.0 NE2 C:GLN129 3.5 61.1 1.0 CB C:GLU132 4.0 60.4 1.0 OE2 C:GLU132 4.1 74.6 1.0 CE1 C:HIS55 4.2 63.8 1.0 OE1 C:GLN129 4.2 60.2 1.0 ND1 C:HIS55 4.2 61.2 1.0 CD C:GLN129 4.2 67.1 1.0 NE2 C:GLN48 4.3 59.7 1.0 CG C:GLU96 4.4 62.8 1.0 CE2 C:TYR26 4.6 53.7 1.0 OH C:TYR26 4.7 73.7 1.0 CG C:GLU52 4.7 60.1 1.0 OE1 C:GLU19 4.8 67.5 1.0

Iron binding site 9 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:79.2 occ:1.00 OE1 D:GLU19 2.3 67.4 1.0 OE1 D:GLU52 2.3 63.2 1.0 ND1 D:HIS55 2.4 66.2 1.0 CD D:GLU19 3.0 64.9 1.0 OE2 D:GLU19 3.1 66.5 1.0 FE D:FE202 3.1 98.6 1.0 CE1 D:HIS55 3.3 68.9 1.0 CG D:HIS55 3.4 64.2 1.0 CD D:GLU52 3.5 66.6 1.0 NE2 D:GLN129 3.6 60.6 1.0 CB D:HIS55 3.7 56.6 1.0 OE2 D:GLU52 4.0 69.7 1.0 NE2 D:HIS55 4.4 66.0 1.0 CG D:GLU19 4.4 57.6 1.0 CD2 D:HIS55 4.5 64.3 1.0 CG D:GLU52 4.7 62.5 1.0 CG1 D:VAL99 4.7 64.9 1.0 CA D:GLU52 4.8 56.8 1.0 CB D:GLU52 4.8 57.7 1.0 CD D:GLN129 4.9 63.5 1.0 OE1 D:GLU128 4.9 86.4 1.0 CB D:GLU19 5.0 56.0 1.0 OE1 D:GLU96 5.0 66.0 1.0

Iron binding site 10 out of 15 in the Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe202 b:98.6 occ:1.00 OE2 D:GLU96 2.3 67.8 1.0 OE2 D:GLU52 2.4 69.7 1.0 OE1 D:GLU96 2.8 66.0 1.0 CD D:GLU96 2.9 66.7 1.0 OE1 D:GLU52 3.0 63.2 1.0 CD D:GLU52 3.0 66.6 1.0 FE D:FE201 3.1 79.2 1.0 OE1 D:GLU132 3.3 73.3 1.0 NE2 D:GLN129 3.9 60.6 1.0 CD D:GLU132 4.0 76.3 1.0 NE2 D:GLN48 4.1 64.6 1.0 CG D:GLU132 4.2 69.8 1.0 ND1 D:HIS55 4.3 66.2 1.0 CG D:GLU96 4.3 66.6 1.0 OH D:TYR26 4.3 72.0 1.0 CB D:GLU132 4.3 65.3 1.0 CE1 D:HIS55 4.4 68.9 1.0 CE2 D:TYR26 4.4 70.6 1.0 CG D:GLU52 4.5 62.5 1.0 OE1 D:GLN129 4.7 68.1 1.0 OE1 D:GLU19 4.7 67.4 1.0 CD D:GLN129 4.8 63.5 1.0 CZ D:TYR26 4.9 69.2 1.0 OE2 D:GLU132 5.0 75.9 1.0

G.Zhao, X.Zhang. Cubic-Shaped Crystal of Tmftn Mutant-T4FY Stimulated By Mg To Be Published.