Iron in PDB 1smw: Crystal Structure of Cp Rd L41A Mutant in Reduced State 2 (Soaked)

The structure of Crystal Structure of Cp Rd L41A Mutant in Reduced State 2 (Soaked), PDB code: 1smw was solved by I.Y.Park, B.Youn, J.L.Harley, M.K.Eidsness, E.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 / 1.38
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	63.042, 63.042, 32.691, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 20

The binding sites of Iron atom in the Crystal Structure of Cp Rd L41A Mutant in Reduced State 2 (Soaked) (pdb code 1smw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Cp Rd L41A Mutant in Reduced State 2 (Soaked), PDB code: 1smw:

Iron binding site 1 out of 1 in the Crystal Structure of Cp Rd L41A Mutant in Reduced State 2 (Soaked)


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 Cp Rd L41A Mutant in Reduced State 2 (Soaked) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe55 b:5.6 occ:1.00 SG A:CYS9 2.3 5.8 1.0 SG A:CYS39 2.3 4.5 1.0 SG A:CYS6 2.3 5.0 1.0 SG A:CYS42 2.4 6.3 1.0 H A:CYS42 3.1 8.0 1.0 H A:CYS9 3.1 5.4 1.0 CB A:CYS6 3.2 5.4 1.0 HB3 A:CYS9 3.2 5.7 1.0 HB3 A:CYS6 3.2 4.8 1.0 CB A:CYS39 3.2 5.0 1.0 HB3 A:CYS39 3.3 4.9 1.0 HB2 A:CYS6 3.3 4.8 1.0 HB3 A:CYS42 3.3 7.0 1.0 HB2 A:CYS39 3.3 5.0 1.0 CB A:CYS9 3.4 5.4 1.0 HG21 A:VAL44 3.4 6.6 1.0 CB A:CYS42 3.4 7.5 1.0 HB3 A:TYR11 3.5 6.3 1.0 HB3 A:ALA41 3.7 8.6 1.0 N A:CYS42 3.7 8.0 1.0 N A:CYS9 3.9 5.2 1.0 H A:TYR11 3.9 5.0 1.0 HB A:VAL8 4.0 6.0 1.0 CA A:CYS42 4.1 7.3 1.0 HG22 A:VAL44 4.1 6.7 1.0 HB2 A:TYR11 4.2 6.4 1.0 CA A:CYS9 4.2 5.3 1.0 H A:VAL44 4.2 7.1 1.0 HB2 A:CYS9 4.2 5.6 1.0 CG2 A:VAL44 4.2 5.8 1.0 CB A:TYR11 4.3 6.0 1.0 HB2 A:CYS42 4.3 7.0 1.0 H A:ALA41 4.4 8.6 1.0 H A:GLY10 4.4 5.3 1.0 H A:GLY43 4.5 7.5 1.0 HZ A:PHE49 4.5 5.1 1.0 H A:VAL8 4.5 5.8 1.0 HG11 A:VAL8 4.6 6.6 1.0 CA A:CYS6 4.6 4.8 1.0 CB A:ALA41 4.6 8.4 1.0 CA A:CYS39 4.7 5.7 1.0 HG13 A:VAL44 4.7 8.0 1.0 C A:ALA41 4.7 8.6 1.0 HG23 A:VAL44 4.8 6.6 1.0 N A:TYR11 4.8 5.0 1.0 C A:CYS42 4.8 7.6 1.0 C A:CYS9 4.8 4.7 1.0 HB2 A:ALA41 4.8 8.5 1.0 N A:GLY10 4.9 4.8 1.0 N A:GLY43 4.9 7.3 1.0 CB A:VAL8 4.9 6.0 1.0 HE1 A:PHE49 4.9 4.8 1.0 C A:VAL8 4.9 5.9 1.0 HA A:CYS6 5.0 4.9 1.0

I.Y.Park, B.Youn, J.L.Harley, M.K.Eidsness, E.Smith, T.Ichiye, C.Kang. The Unique Hydrogen Bonded Water in the Reduced Form of Clostridium Pasteurianum Rubredoxin and Its Possible Role in Electron Transfer J.Biol.Inorg.Chem. V. 9 423 2004.
ISSN: ISSN 0949-8257
PubMed: 15067525
DOI: 10.1007/S00775-004-0542-3