Chlorine in PDB 4lqv: Thrirty Minutes Iron Loaded Frog M Ferritin

All present enzymatic activity of Thrirty Minutes Iron Loaded Frog M Ferritin:
1.16.3.1;

The structure of Thrirty Minutes Iron Loaded Frog M Ferritin, PDB code: 4lqv was solved by S.Mangani, F.Di Pisa, C.Pozzi, P.Turano, D.Lalli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.23 / 1.54
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	184.084, 184.084, 184.084, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.3

The structure of Thrirty Minutes Iron Loaded Frog M Ferritin also contains other interesting chemical elements:

Magnesium	(Mg)	6 atoms
Iron	(Fe)	3 atoms

The binding sites of Chlorine atom in the Thrirty Minutes Iron Loaded Frog M Ferritin (pdb code 4lqv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Thrirty Minutes Iron Loaded Frog M Ferritin, PDB code: 4lqv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:14.5 occ:1.00 O A:HOH468 3.0 30.0 1.0 O A:HOH435 3.2 25.2 1.0 O A:HOH554 3.2 41.3 1.0 N A:TYR8 3.3 7.5 1.0 N A:ASN7 3.4 7.6 1.0 O A:TYR8 3.5 8.3 1.0 CD A:ARG5 3.6 7.9 1.0 NE A:ARG5 3.6 8.0 1.0 CG A:ARG5 3.6 7.8 1.0 O A:HOH379 3.8 17.2 1.0 C A:GLN6 4.0 7.7 1.0 CA A:GLN6 4.0 7.8 1.0 C A:TYR8 4.0 7.9 1.0 CA A:TYR8 4.1 7.6 1.0 N A:GLN6 4.1 7.9 1.0 CA A:ASN7 4.1 7.5 1.0 O A:HOH544 4.1 32.7 1.0 C A:ASN7 4.2 7.4 1.0 C A:ARG5 4.3 7.9 1.0 CB A:TYR8 4.4 7.5 1.0 CB A:ARG5 4.5 7.9 1.0 O A:ARG5 4.5 8.0 1.0 O A:GLN6 4.8 7.6 1.0 CZ A:ARG5 4.9 8.1 1.0 O A:HOH545 5.0 33.0 1.0 CA A:ARG5 5.0 7.9 1.0

Chlorine binding site 2 out of 5 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:10.2 occ:0.25 FE A:FE2201 2.4 5.1 0.2 CE1 A:HIS169 3.4 9.2 1.0 NE2 A:HIS169 3.5 9.6 1.0 CD2 A:LEU165 3.6 7.2 1.0 ND1 A:HIS169 4.5 9.8 1.0 CD2 A:HIS169 4.6 9.2 1.0 O A:HOH668 4.7 14.2 0.2

Chlorine binding site 3 out of 5 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:15.8 occ:1.00 O A:HOH358 3.0 12.4 1.0 O A:HOH393 3.1 22.7 1.0 O A:HOH513 3.2 29.8 1.0 ND2 A:ASN17 3.3 7.3 1.0 O A:HOH465 3.3 27.5 1.0 CB A:ASN17 3.7 7.1 1.0 CG A:ASN17 4.0 7.2 1.0 CA A:ALA14 4.0 7.1 1.0 O A:HOH553 4.0 34.5 1.0 CB A:VAL77 4.0 8.4 1.0 CB A:ALA14 4.2 7.2 1.0 O A:ALA14 4.3 7.2 1.0 CG2 A:VAL77 4.3 8.9 1.0 CG1 A:VAL77 4.4 9.0 1.0 C A:ALA14 4.6 7.2 1.0 O A:HOH311 4.7 10.8 1.0 O A:HOH492 4.9 28.9 1.0 O A:HOH653 5.0 41.9 1.0

Chlorine binding site 4 out of 5 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:19.0 occ:1.00 O A:HOH400 3.0 21.3 1.0 NE2 A:GLN108 3.2 9.8 1.0 O A:HOH464 3.2 23.5 1.0 CD A:GLN108 4.1 9.5 1.0 OE1 A:GLN108 4.1 10.2 1.0 CD1 A:LEU111 4.2 7.9 1.0 CB A:LEU111 4.2 7.8 1.0 O A:HOH531 4.3 32.9 1.0 O A:HOH594 4.4 37.9 1.0 OD1 A:ASP112 4.7 10.0 1.0 CG A:LEU111 4.8 7.8 1.0 O A:HOH510 4.8 31.3 1.0

Chlorine binding site 5 out of 5 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl214 b:28.3 occ:1.00 N A:SER10 3.0 8.8 1.0 O A:HOH542 3.1 34.1 1.0 O A:HOH545 3.2 33.0 1.0 O A:HOH588 3.2 43.2 1.0 CB A:SER10 3.6 9.7 1.0 CA A:HIS9 3.8 8.6 1.0 CD2 A:HIS9 3.8 9.8 1.0 CG A:HIS9 3.8 9.4 1.0 C A:HIS9 3.9 8.7 1.0 O A:HOH435 3.9 25.2 1.0 CA A:SER10 3.9 9.2 1.0 NE2 A:HIS9 3.9 10.1 1.0 ND1 A:HIS9 3.9 9.7 1.0 CE1 A:HIS9 4.0 9.8 1.0 CB A:HIS9 4.4 8.9 1.0 O A:TYR8 4.4 8.3 1.0 N A:HIS9 4.9 8.2 1.0 O A:HOH554 4.9 41.3 1.0 O A:HOH571 4.9 33.8 1.0 OG A:SER10 4.9 10.8 1.0

S.Mangani, F.Di Pisa, C.Pozzi, P.Turano, D.Lalli. Crystallographic Snapshots of Iron in Frog M Ferritin To Be Published.