Iron in PDB 1t9p: Crystal Structure of V44A, G45P Cp Rubredoxin

The structure of Crystal Structure of V44A, G45P Cp Rubredoxin, PDB code: 1t9p was solved by I.Y.Park, M.K.Eidsness, I.J.Lin, E.B.Gebel, B.Youn, J.L.Harley, T.E.Machonkin, R.O.Frederick, J.L.Markley, E.T.Smith, T.Ichiye, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.920, 56.450, 38.330, 90.00, 112.61, 90.00
R / Rfree (%)	19.6 / 21.5

The binding sites of Iron atom in the Crystal Structure of V44A, G45P Cp Rubredoxin (pdb code 1t9p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of V44A, G45P Cp Rubredoxin, PDB code: 1t9p:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of V44A, G45P Cp Rubredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of V44A, G45P Cp Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe55 b:8.0 occ:1.00 SG A:CYS42 2.3 10.1 1.0 SG A:CYS6 2.3 8.0 1.0 SG A:CYS9 2.3 9.6 1.0 SG A:CYS39 2.3 9.2 1.0 CB A:CYS39 3.2 7.2 1.0 CB A:CYS6 3.2 7.0 1.0 CB A:CYS9 3.3 9.4 1.0 CB A:CYS42 3.4 9.8 1.0 N A:CYS42 3.7 10.1 1.0 N A:CYS9 3.8 8.2 1.0 CA A:CYS42 4.1 9.8 1.0 CA A:CYS9 4.1 7.7 1.0 CB A:TYR11 4.2 6.8 1.0 CB A:ALA44 4.6 9.7 1.0 CA A:CYS39 4.6 6.9 1.0 CA A:CYS6 4.6 6.8 1.0 CB A:VAL8 4.7 9.0 1.0 C A:LEU41 4.7 11.4 1.0 C A:CYS9 4.7 8.1 1.0 C A:CYS42 4.7 9.9 1.0 N A:TYR11 4.7 6.3 1.0 C A:VAL8 4.8 8.7 1.0 CB A:LEU41 4.8 12.1 1.0 N A:GLY10 4.8 6.9 1.0 N A:GLY43 4.8 9.6 1.0 N A:ALA44 4.9 9.5 1.0 CG1 A:VAL8 4.9 9.2 1.0

Iron binding site 2 out of 3 in the Crystal Structure of V44A, G45P Cp Rubredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of V44A, G45P Cp Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe155 b:6.6 occ:1.00 SG B:CYS142 2.3 7.1 1.0 SG B:CYS109 2.3 7.3 1.0 SG B:CYS139 2.3 6.6 1.0 SG B:CYS106 2.3 7.2 1.0 CB B:CYS139 3.2 4.7 1.0 CB B:CYS106 3.3 7.7 1.0 CB B:CYS109 3.4 8.8 1.0 CB B:CYS142 3.4 6.2 1.0 N B:CYS142 3.8 5.6 1.0 N B:CYS109 3.8 8.5 1.0 CA B:CYS109 4.1 8.5 1.0 CA B:CYS142 4.2 5.3 1.0 CB B:TYR111 4.2 6.9 1.0 CB B:ALA144 4.4 7.2 1.0 CB B:VAL108 4.6 9.1 1.0 CA B:CYS139 4.6 5.1 1.0 N B:TYR111 4.7 7.3 1.0 C B:CYS109 4.7 8.5 1.0 CA B:CYS106 4.7 8.0 1.0 N B:GLY110 4.7 8.4 1.0 CB B:LEU141 4.8 6.0 1.0 C B:VAL108 4.8 8.9 1.0 N B:ALA144 4.8 6.2 1.0 C B:CYS142 4.8 5.4 1.0 C B:LEU141 4.8 5.2 1.0 N B:GLY143 4.9 5.3 1.0

Iron binding site 3 out of 3 in the Crystal Structure of V44A, G45P Cp Rubredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of V44A, G45P Cp Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe255 b:9.2 occ:1.00 SG C:CYS206 2.3 7.9 1.0 SG C:CYS242 2.3 9.7 1.0 SG C:CYS239 2.3 8.0 1.0 SG C:CYS209 2.3 10.1 1.0 CB C:CYS206 3.2 8.1 1.0 CB C:CYS239 3.2 7.6 1.0 CB C:CYS209 3.3 8.7 1.0 CB C:CYS242 3.3 10.9 1.0 N C:CYS242 3.8 11.6 1.0 N C:CYS209 3.8 8.1 1.0 CA C:CYS209 4.1 7.5 1.0 CA C:CYS242 4.1 10.9 1.0 CB C:TYR211 4.3 9.1 1.0 CB C:ALA244 4.4 10.0 1.0 CA C:CYS206 4.7 7.7 1.0 N C:ALA244 4.7 9.2 1.0 C C:CYS242 4.7 10.8 1.0 CA C:CYS239 4.7 7.3 1.0 C C:CYS209 4.7 8.0 1.0 N C:GLY210 4.7 6.9 1.0 C C:VAL208 4.7 9.0 1.0 N C:TYR211 4.7 7.5 1.0 N C:GLY243 4.8 9.5 1.0 C C:LEU241 4.8 12.8 1.0 CB C:VAL208 4.8 9.6 1.0 CB C:LEU241 4.8 14.3 1.0

I.Y.Park, M.K.Eidsness, I.J.Lin, E.B.Gebel, B.Youn, J.L.Harley, T.E.Machonkin, R.O.Frederick, J.L.Markley, E.T.Smith, T.Ichiye, C.Kang. Crystallographic Studies of V44 Mutants of Clostridium Pasteurianum Rubredoxin: Effects of Side-Chain Size on Reduction Potential. Proteins V. 57 618 2004.
ISSN: ISSN 0887-3585
PubMed: 15382226
DOI: 10.1002/PROT.20243