Iron in PDB 7wlf: Crystal Structure of the Hsa Fe Complex

The structure of Crystal Structure of the Hsa Fe Complex, PDB code: 7wlf was solved by H.H.Bai, L.L.Xie, W.M.Wang, H.F.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.99 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.502, 38.165, 95.777, 90, 105.08, 90
R / Rfree (%)	20.9 / 28.2

The structure of Crystal Structure of the Hsa Fe Complex also contains other interesting chemical elements:

Chlorine

(Cl)

16 atoms

The binding sites of Iron atom in the Crystal Structure of the Hsa Fe Complex (pdb code 7wlf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Crystal Structure of the Hsa Fe Complex, PDB code: 7wlf:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Crystal Structure of the Hsa Fe Complex


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 the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:64.9 occ:0.46 NAL A:9IZ602 1.8 82.5 1.0 NAX A:9IZ602 1.9 73.3 1.0 NAN A:9IZ602 2.0 76.1 1.0 NAA A:9IZ602 2.0 77.7 1.0 NE2 A:HIS288 2.1 75.8 1.0 NAW A:9IZ602 2.2 86.1 1.0 CAG A:9IZ602 2.6 81.8 1.0 CAR A:9IZ602 2.6 77.2 1.0 CAF A:9IZ602 2.6 83.1 1.0 CAP A:9IZ602 2.7 79.0 1.0 CAK A:9IZ602 2.7 83.2 1.0 CAQ A:9IZ602 2.8 82.9 1.0 CAO A:9IZ602 2.8 77.4 1.0 CAM A:9IZ602 3.0 80.2 1.0 CAY A:9IZ602 3.0 78.3 1.0 CD2 A:HIS288 3.0 72.0 1.0 CE1 A:HIS288 3.1 73.7 1.0 CAB A:9IZ602 3.1 79.9 1.0 CAV A:9IZ602 3.3 80.1 1.0 CAH A:9IZ602 3.9 80.2 1.0 CBB A:9IZ602 3.9 74.8 1.0 CAE A:9IZ602 4.0 87.9 1.0 CAJ A:9IZ602 4.0 77.7 1.0 CAS A:9IZ602 4.1 79.5 1.0 CG A:HIS288 4.2 75.2 1.0 CAZ A:9IZ602 4.2 76.9 1.0 ND1 A:HIS288 4.2 73.5 1.0 CAC A:9IZ602 4.3 80.5 1.0 CAU A:9IZ602 4.4 79.9 1.0 CAI A:9IZ602 4.4 79.0 1.0 CBA A:9IZ602 4.5 77.5 1.0 CAD A:9IZ602 4.7 86.6 1.0 CAT A:9IZ602 4.8 78.8 1.0

Iron binding site 2 out of 5 in the Crystal Structure of the Hsa Fe Complex


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 the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:98.8 occ:0.68 O A:HOH785 2.3 85.5 1.0 CL A:CL624 2.4 106.0 1.0 NE2 A:HIS128 2.4 99.2 1.0 CL A:CL623 2.5 119.8 1.0 CD2 A:HIS128 3.2 99.6 1.0 CE1 A:HIS128 3.5 90.6 1.0 CG A:HIS128 4.4 94.8 1.0 ND1 A:HIS128 4.5 91.4 1.0

Iron binding site 3 out of 5 in the Crystal Structure of the Hsa Fe Complex


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 the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:80.0 occ:0.50 O A:HOH789 2.1 91.4 1.0 CL A:CL622 2.2 95.0 1.0 CL A:CL621 2.3 112.0 1.0 CE1 A:HIS367 3.0 88.7 1.0 NE2 A:HIS367 3.0 90.1 1.0 ND1 A:HIS367 4.3 83.2 1.0 CD2 A:HIS367 4.4 83.3 1.0 CG A:GLU311 4.9 78.8 1.0

Iron binding site 4 out of 5 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe606 b:71.2 occ:0.55 O A:HOH786 1.7 67.0 1.0 O A:HOH773 1.8 67.9 1.0 O A:HOH782 1.8 73.1 1.0 O A:HOH764 1.9 65.9 1.0 O A:HOH770 1.9 55.4 1.0 O A:HOH763 2.1 57.0 1.0 CB A:SER454 3.9 64.2 1.0 CA A:SER454 4.2 67.0 1.0 O A:HOH723 4.3 65.4 1.0 CB A:ARG485 4.5 60.1 1.0 N A:SER454 4.6 64.3 1.0 CG2 A:VAL344 4.8 60.5 1.0 CD1 A:LEU457 4.8 56.2 1.0 CG1 A:VAL344 4.9 66.7 1.0 N A:ARG485 5.0 61.7 1.0 CD A:ARG484 5.0 59.5 1.0

Iron binding site 5 out of 5 in the Crystal Structure of the Hsa Fe Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Hsa Fe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe607 b:120.0 occ:1.00 NE2 A:HIS510 2.7 97.2 1.0 CE1 A:HIS510 2.7 102.8 1.0 O A:HOH788 3.1 60.0 1.0 O A:HOH776 3.1 75.9 1.0 O A:HOH742 3.3 85.2 1.0 CD2 A:HIS510 3.6 102.5 1.0 ND1 A:HIS510 3.6 102.9 1.0 CG A:HIS510 4.1 95.0 1.0

H.H.Bai, L.L.Xie, W.M.Wang, H.F.Wang. Crystal Structure of the Hsa Fe Complex To Be Published.