Iron in PDB 7v3e: The Complex Structure of Sobcmb and Its Intermediate Product 1A

The structure of The Complex Structure of Sobcmb and Its Intermediate Product 1A, PDB code: 7v3e was solved by L.Wu, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.46 / 2.12
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.878, 180.533, 133.298, 90, 90, 90
R / Rfree (%)	21.7 / 22.9

The structure of The Complex Structure of Sobcmb and Its Intermediate Product 1A also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the The Complex Structure of Sobcmb and Its Intermediate Product 1A (pdb code 7v3e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The Complex Structure of Sobcmb and Its Intermediate Product 1A, PDB code: 7v3e:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The Complex Structure of Sobcmb and Its Intermediate Product 1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Complex Structure of Sobcmb and Its Intermediate Product 1A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe406 b:31.8 occ:1.00 NE2 A:HIS256 2.4 29.1 1.0 O1 A:AKG402 2.4 37.0 1.0 O5 A:AKG402 2.4 38.0 1.0 OD1 A:ASP200 2.4 35.1 1.0 NE2 A:HIS198 2.4 29.1 1.0 O A:HOH554 2.5 33.7 1.0 C2 A:AKG402 3.1 36.7 1.0 C1 A:AKG402 3.1 36.6 1.0 CE1 A:HIS198 3.2 30.2 1.0 CD2 A:HIS256 3.2 29.2 1.0 CG A:ASP200 3.2 36.4 1.0 CE1 A:HIS256 3.4 29.3 1.0 OD2 A:ASP200 3.4 36.5 1.0 CD2 A:HIS198 3.5 31.1 1.0 O2 A:AKG402 4.3 36.8 1.0 ND1 A:HIS198 4.3 31.5 1.0 CG A:HIS256 4.4 32.5 1.0 ND1 A:HIS256 4.4 32.5 1.0 CG A:HIS198 4.5 30.4 1.0 C3 A:AKG402 4.5 32.3 1.0 CE2 A:PHE271 4.6 27.4 1.0 CB A:ASP200 4.6 32.4 1.0 C14 A:5WI403 4.6 51.1 1.0 N A:ASP200 4.8 29.6 1.0 CD2 A:LEU195 4.9 32.6 1.0 CZ A:PHE271 4.9 27.0 1.0 C4 A:AKG402 5.0 31.5 1.0 CA A:ASP200 5.0 30.8 1.0

Iron binding site 2 out of 3 in the The Complex Structure of Sobcmb and Its Intermediate Product 1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Complex Structure of Sobcmb and Its Intermediate Product 1A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe405 b:34.3 occ:1.00 O2 B:AKG404 2.4 35.8 1.0 NE2 B:HIS256 2.4 29.9 1.0 OD1 B:ASP200 2.4 28.9 1.0 NE2 B:HIS198 2.4 34.4 1.0 O5 B:AKG404 2.4 36.4 1.0 O B:HOH556 2.5 49.3 1.0 C1 B:AKG404 3.0 36.7 1.0 C2 B:AKG404 3.1 37.8 1.0 CD2 B:HIS256 3.2 29.6 1.0 CG B:ASP200 3.2 34.9 1.0 CE1 B:HIS198 3.3 36.3 1.0 CD2 B:HIS198 3.4 36.8 1.0 CE1 B:HIS256 3.4 29.3 1.0 OD2 B:ASP200 3.4 34.5 1.0 O1 B:AKG404 4.3 38.6 1.0 CG B:HIS256 4.4 31.5 1.0 ND1 B:HIS198 4.4 36.9 1.0 ND1 B:HIS256 4.4 30.4 1.0 CG B:HIS198 4.5 34.4 1.0 C3 B:AKG404 4.5 35.1 1.0 C14 B:5WI403 4.6 45.1 1.0 CE2 B:PHE271 4.6 29.1 1.0 CB B:ASP200 4.7 34.0 1.0 N B:ASP200 4.9 30.9 1.0 CD2 B:LEU195 4.9 30.7 1.0 C9 B:5WI403 4.9 49.2 1.0 C4 B:AKG404 5.0 33.7 1.0 CA B:ASP200 5.0 33.7 1.0

Iron binding site 3 out of 3 in the The Complex Structure of Sobcmb and Its Intermediate Product 1A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Complex Structure of Sobcmb and Its Intermediate Product 1A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe406 b:41.4 occ:1.00 O5 C:AKG404 2.4 39.6 1.0 OD1 C:ASP200 2.4 36.5 1.0 O2 C:AKG404 2.4 36.0 1.0 NE2 C:HIS198 2.4 36.6 1.0 NE2 C:HIS256 2.4 40.5 1.0 O C:HOH550 2.5 43.6 1.0 C2 C:AKG404 3.0 38.4 1.0 C1 C:AKG404 3.1 36.7 1.0 CE1 C:HIS198 3.2 36.0 1.0 CG C:ASP200 3.2 36.8 1.0 OD2 C:ASP200 3.3 36.3 1.0 CD2 C:HIS256 3.3 41.0 1.0 CE1 C:HIS256 3.4 42.1 1.0 CD2 C:HIS198 3.5 36.7 1.0 O1 C:AKG404 4.3 35.9 1.0 ND1 C:HIS198 4.3 36.2 1.0 CG C:HIS256 4.4 43.5 1.0 ND1 C:HIS256 4.4 43.4 1.0 C3 C:AKG404 4.5 36.2 1.0 CG C:HIS198 4.5 36.5 1.0 C14 C:5WI402 4.5 49.0 1.0 CB C:ASP200 4.6 36.0 1.0 CE2 C:PHE271 4.6 34.4 1.0 CD2 C:LEU195 4.8 34.2 1.0 C4 C:AKG404 4.9 35.1 1.0 CZ C:PHE271 4.9 33.1 1.0 N C:ASP200 4.9 42.5 1.0

L.Wu, J.H.Zhou. The Crystal Structure of Sobcmb and Its Side Way Intermediate Product To Be Published.