Iron in PDB 9j47: Scda Cysteine-Free Mutant From Staphylococcus Aureus

The structure of Scda Cysteine-Free Mutant From Staphylococcus Aureus, PDB code: 9j47 was solved by W.Y.Liao, N.J.Hu, Y.W.Chiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.07 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.538, 92.492, 110.889, 90, 90, 90
R / Rfree (%)	21.8 / 25.2

The binding sites of Iron atom in the Scda Cysteine-Free Mutant From Staphylococcus Aureus (pdb code 9j47). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Scda Cysteine-Free Mutant From Staphylococcus Aureus, PDB code: 9j47:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Scda Cysteine-Free Mutant From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Scda Cysteine-Free Mutant From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:78.0 occ:1.00 NE2 A:HIS87 2.1 57.9 1.0 NE2 A:HIS211 2.2 62.1 1.0 OE2 A:GLU215 2.3 60.6 1.0 OE1 A:GLU136 2.6 62.5 1.0 O A:O303 2.7 58.5 1.0 FE A:FE302 3.0 58.2 1.0 CE1 A:HIS211 3.0 63.4 1.0 CD2 A:HIS87 3.0 60.1 1.0 CD A:GLU215 3.1 60.7 1.0 CE1 A:HIS87 3.2 58.0 1.0 CD2 A:HIS211 3.3 62.9 1.0 OE1 A:GLU215 3.4 64.1 1.0 CD A:GLU136 3.5 60.5 1.0 OE2 A:GLU136 3.8 54.5 1.0 CG2 A:ILE82 4.1 57.7 1.0 ND1 A:HIS211 4.2 61.5 1.0 CG A:HIS87 4.2 63.0 1.0 ND1 A:HIS87 4.2 61.9 1.0 CG A:MET133 4.3 60.8 1.0 CG A:HIS211 4.4 63.0 1.0 CG A:GLU215 4.4 62.4 1.0 CZ A:PHE141 4.5 60.3 1.0 NE2 A:HIS132 4.5 56.5 1.0 CD2 A:HIS132 4.6 56.3 1.0 CE2 A:PHE141 4.9 56.0 1.0 CG A:GLU136 4.9 58.8 1.0

Iron binding site 2 out of 4 in the Scda Cysteine-Free Mutant From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Scda Cysteine-Free Mutant From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:58.2 occ:1.00 OE2 A:GLU136 2.0 54.5 1.0 O A:O303 2.1 58.5 1.0 OE1 A:GLU215 2.1 64.1 1.0 NE2 A:HIS132 2.3 56.5 1.0 NE2 A:HIS167 2.4 58.0 1.0 CD A:GLU136 2.8 60.5 1.0 OE1 A:GLU136 2.9 62.5 1.0 FE A:FE301 3.0 78.0 1.0 CD A:GLU215 3.0 60.7 1.0 CD2 A:HIS132 3.1 56.3 1.0 OE2 A:GLU215 3.1 60.6 1.0 CE1 A:HIS132 3.3 56.9 1.0 CE1 A:HIS167 3.3 58.7 1.0 CD2 A:HIS167 3.3 55.3 1.0 CG A:GLU136 4.2 58.8 1.0 NE2 A:HIS211 4.3 62.1 1.0 CG A:HIS132 4.3 57.9 1.0 ND1 A:HIS132 4.4 58.2 1.0 CG A:GLU215 4.4 62.4 1.0 ND1 A:HIS167 4.5 57.3 1.0 CG A:HIS167 4.5 56.3 1.0 CB A:GLU215 4.7 60.5 1.0 NE2 A:HIS87 4.9 57.9 1.0 CD2 A:HIS211 5.0 62.9 1.0

Iron binding site 3 out of 4 in the Scda Cysteine-Free Mutant From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Scda Cysteine-Free Mutant From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:71.4 occ:1.00 OE2 B:GLU215 2.1 59.8 1.0 NE2 B:HIS87 2.2 52.9 1.0 NE2 B:HIS211 2.4 57.6 1.0 O B:O303 2.5 55.5 1.0 OE1 B:GLU136 2.7 56.3 1.0 FE B:FE302 2.9 55.9 1.0 CD B:GLU215 3.0 56.9 1.0 CD2 B:HIS87 3.1 56.1 1.0 CE1 B:HIS211 3.2 59.0 1.0 CE1 B:HIS87 3.2 54.8 1.0 OE1 B:GLU215 3.3 57.6 1.0 CD2 B:HIS211 3.4 54.3 1.0 CD B:GLU136 3.6 58.2 1.0 OE2 B:GLU136 3.8 56.5 1.0 CG B:HIS87 4.3 60.8 1.0 CG2 B:ILE82 4.3 53.3 1.0 ND1 B:HIS87 4.3 56.3 1.0 ND1 B:HIS211 4.4 57.3 1.0 CG B:MET133 4.4 58.0 1.0 CG B:GLU215 4.4 58.8 1.0 CZ B:PHE141 4.4 56.5 1.0 CG B:HIS211 4.5 55.4 1.0 NE2 B:HIS132 4.5 55.1 1.0 CD2 B:HIS132 4.6 53.1 1.0 CE2 B:PHE141 4.7 53.7 1.0 NE2 B:HIS167 4.8 54.8 1.0 CG B:GLU136 5.0 57.4 1.0

Iron binding site 4 out of 4 in the Scda Cysteine-Free Mutant From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Scda Cysteine-Free Mutant From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:55.9 occ:1.00 OE2 B:GLU136 2.0 56.5 1.0 O B:O303 2.1 55.5 1.0 NE2 B:HIS167 2.2 54.8 1.0 OE1 B:GLU215 2.3 57.6 1.0 NE2 B:HIS132 2.3 55.1 1.0 CD B:GLU136 2.8 58.2 1.0 FE B:FE301 2.9 71.4 1.0 OE1 B:GLU136 2.9 56.3 1.0 CE1 B:HIS167 3.1 54.2 1.0 CD2 B:HIS132 3.1 53.1 1.0 CD B:GLU215 3.1 56.9 1.0 CD2 B:HIS167 3.3 48.6 1.0 OE2 B:GLU215 3.3 59.8 1.0 CE1 B:HIS132 3.3 51.7 1.0 CG B:GLU136 4.2 57.4 1.0 ND1 B:HIS167 4.3 52.7 1.0 CG B:HIS132 4.3 53.3 1.0 CG B:HIS167 4.4 50.6 1.0 ND1 B:HIS132 4.4 54.6 1.0 CG B:GLU215 4.6 58.8 1.0 NE2 B:HIS211 4.6 57.6 1.0 CB B:GLU215 4.9 57.0 1.0 NE2 B:HIS87 4.9 52.9 1.0

W.Y.Liao, N.J.Hu, Y.W.Chiang. Crystal Structure of Cysteine-Free Scda From Staphylococcus Aureus To Be Published.