Chlorine in PDB 5j8w: One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A

All present enzymatic activity of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A:
1.16.3.1;

The structure of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A, PDB code: 5j8w was solved by C.Pozzi, F.Di Pisa, S.Mangani, C.Bernacchioni, P.Turano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.53 / 1.11
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	184.340, 184.340, 184.340, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 14.1

The structure of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A also contains other interesting chemical elements:

Magnesium	(Mg)	9 atoms
Iron	(Fe)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A (pdb code 5j8w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A, PDB code: 5j8w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:7.1 occ:0.25 NE2 A:HIS169 3.2 10.1 1.0 CD2 A:LEU165 3.9 8.4 1.0 CE1 A:HIS169 3.9 12.5 1.0 CD2 A:HIS169 4.2 8.4 1.0

Chlorine binding site 2 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.7 occ:0.80 O A:HOH585 3.1 13.9 1.0 NZ A:LYS71 3.3 9.5 1.0 CE A:LYS67 3.4 10.5 0.2 NZ A:LYS67 3.5 10.7 0.2 O A:HOH508 3.5 36.7 1.0 CE A:LYS67 3.6 9.9 0.2 CE A:LYS71 3.8 9.5 1.0 CD A:LYS71 4.0 9.1 1.0 NZ A:LYS67 4.1 10.3 0.2 O A:HOH475 4.1 14.2 1.0 CD A:LYS67 4.8 10.4 0.5 CD A:LYS67 4.8 9.7 0.5 CG A:LYS71 5.0 7.9 1.0

Chlorine binding site 3 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:14.6 occ:0.70 O A:HOH473 3.0 15.6 1.0 O A:HOH316 3.0 17.4 1.0 O A:HOH624 3.1 15.8 1.0 O A:HOH600 3.1 36.6 1.0 CD A:ARG86 3.7 8.9 1.0 O A:HOH522 3.7 41.6 1.0 CZ3 A:TRP89 3.8 7.7 1.0 CB A:GLU85 3.8 13.0 1.0 CG A:ARG86 4.0 8.5 1.0 CB A:ALA98 4.3 6.7 1.0 CH2 A:TRP89 4.3 8.0 1.0 O A:HOH421 4.4 9.8 1.0 CG A:GLU85 4.6 16.5 0.6 O A:HOH552 4.8 37.2 1.0 CE3 A:TRP89 4.8 7.0 1.0 CB A:ARG86 5.0 7.3 1.0 O A:HOH494 5.0 13.8 1.0

Chlorine binding site 4 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:15.7 occ:0.80 O A:HOH584 2.8 24.8 1.0 OG1 A:THR105 3.1 8.4 1.0 O A:HOH421 3.2 9.8 1.0 CA A:LEU102 3.6 7.3 1.0 O A:GLN101 3.6 7.8 1.0 N A:LEU102 3.7 6.9 1.0 C A:GLN101 3.7 6.9 1.0 CB A:THR105 3.8 7.7 1.0 O A:HOH595 3.9 38.8 1.0 O A:HOH323 4.0 17.2 1.0 CG A:GLN101 4.1 9.6 0.5 CB A:GLN101 4.2 9.0 1.0 CB A:LEU102 4.3 8.1 1.0 CD A:GLN101 4.3 17.1 0.5 CG2 A:THR105 4.4 8.6 1.0 CD1 A:LEU102 4.4 12.1 1.0 NE2 A:GLN101 4.6 25.8 0.5 O A:HOH353 4.6 25.6 1.0 CA A:GLN101 4.6 8.7 1.0 O A:HOH476 4.7 34.1 1.0 O A:HOH624 4.8 15.8 1.0 O A:HOH478 4.8 18.3 1.0 C A:LEU102 4.8 6.7 1.0 OE1 A:GLN101 4.8 22.9 0.5 O A:LEU102 5.0 6.9 1.0

Chlorine binding site 5 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:17.8 occ:0.90 O A:HOH326 2.8 27.9 1.0 O A:HOH638 3.1 21.3 0.6 N A:ASP87 3.1 7.2 1.0 N A:GLU88 3.7 7.0 1.0 CA A:ARG86 3.7 7.3 1.0 CB A:ARG86 3.8 7.3 1.0 C A:ARG86 3.9 7.0 1.0 CA A:ASP87 4.0 8.4 0.5 CA A:ASP87 4.0 7.4 0.5 CB A:ASP87 4.0 8.7 0.5 CB A:ASP87 4.0 7.5 0.5 O A:GLU88 4.1 8.2 1.0 CG A:GLU88 4.1 10.0 1.0 CG A:ARG86 4.2 8.5 1.0 O A:HOH477 4.3 18.1 0.5 C A:ASP87 4.3 7.6 1.0 O A:HOH388 4.4 25.6 0.6 OD2 A:ASP87 4.5 7.7 0.5 OE2 A:GLU88 4.5 12.0 0.7 CG A:ASP87 4.6 7.5 0.5 NE A:ARG86 4.6 9.7 0.9 CA A:GLU88 4.7 8.7 1.0 CG A:ASP87 4.7 8.8 0.5 CD A:GLU88 4.8 10.4 0.7 C A:GLU88 4.8 6.9 1.0 CB A:GLU88 4.8 9.3 1.0 O A:HOH588 4.9 27.9 1.0 OD2 A:ASP87 5.0 9.3 0.5

Chlorine binding site 6 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:17.3 occ:0.80 O A:HOH448 3.2 18.7 1.0 ND2 A:ASN159 3.2 10.0 1.0 O A:HOH396 3.3 19.9 1.0 CA A:GLY155 3.6 7.4 1.0 CB A:ASN159 4.1 7.5 1.0 CG A:ASN159 4.1 8.1 1.0 CL A:CL220 4.2 14.6 0.3 N A:GLY155 4.4 7.2 1.0 O A:LEU154 4.5 9.2 1.0 O A:HOH594 4.6 31.5 1.0 O A:GLY155 4.7 7.3 1.0 C A:GLY155 4.7 6.9 1.0 C A:LEU154 4.7 7.4 1.0 O A:HOH498 4.7 38.2 1.0 O A:HOH487 4.7 15.7 1.0 O A:HOH566 4.9 29.1 1.0

Chlorine binding site 7 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:19.1 occ:0.65 O A:HOH506 2.7 27.3 1.0 O A:HOH614 2.9 22.1 1.0 O A:HOH615 3.0 17.2 0.5 CB A:ASN21 3.5 5.5 1.0 CG A:ASN21 3.7 5.4 1.0 CG A:GLN79 3.8 8.5 1.0 O A:HOH602 3.9 34.8 1.0 CA A:ARG18 4.0 5.9 1.0 CG A:ARG18 4.0 9.6 1.0 OD1 A:ASN21 4.0 6.4 1.0 O A:HOH567 4.1 17.7 0.5 CB A:GLN79 4.1 6.6 1.0 ND2 A:ASN21 4.3 6.2 1.0 CB A:ARG18 4.3 7.4 1.0 O A:HOH401 4.3 11.8 0.5 O A:HOH663 4.4 36.4 1.0 MG A:MG229 4.5 13.9 0.5 O A:ARG18 4.5 6.2 1.0 O A:ASN17 4.6 5.8 1.0 O A:HOH490 4.7 23.2 1.0 N A:ARG18 4.8 5.4 1.0 C A:ARG18 4.8 5.9 1.0 CD A:ARG18 4.8 10.8 0.8 O A:HOH651 4.9 21.6 0.5 O A:HOH382 4.9 14.7 1.0 CA A:ASN21 5.0 5.3 1.0

Chlorine binding site 8 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:12.2 occ:0.25 O A:HOH670 3.2 54.3 1.0 CE1 A:HIS169 3.7 12.5 1.0 ND1 A:HIS169 4.5 11.5 1.0 NE2 A:HIS169 4.6 10.1 1.0 O A:HOH496 4.8 29.6 1.0

Chlorine binding site 9 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:10.7 occ:0.90 O A:HOH504 2.9 30.4 1.0 O A:HOH556 3.1 28.2 1.0 O A:HOH519 3.2 16.0 0.5 N A:TYR8 3.3 5.9 1.0 N A:ASN7 3.4 5.7 1.0 CD A:ARG5 3.5 7.0 1.0 O A:TYR8 3.5 7.0 1.0 O A:HOH311 3.5 28.6 1.0 CG A:ARG5 3.6 6.4 1.0 NE A:ARG5 3.6 7.1 1.0 C A:GLN6 3.9 5.6 1.0 CA A:GLN6 4.0 6.5 0.5 CA A:GLN6 4.0 6.2 0.5 N A:GLN6 4.1 5.5 1.0 CA A:ASN7 4.1 5.9 1.0 C A:TYR8 4.1 6.2 1.0 CA A:TYR8 4.1 6.0 1.0 O A:HOH648 4.1 47.1 1.0 C A:ASN7 4.2 5.8 1.0 C A:ARG5 4.3 5.7 1.0 CB A:ARG5 4.5 6.3 1.0 CB A:TYR8 4.5 6.3 1.0 O A:ARG5 4.5 6.6 1.0 O A:GLN6 4.8 6.0 1.0 CZ A:ARG5 4.9 6.9 1.0 CA A:ARG5 5.0 6.0 1.0

Chlorine binding site 10 out of 20 in the One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of One Minute Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:13.5 occ:0.70 O A:HOH346 3.0 16.9 1.0 NE2 A:GLN108 3.2 9.9 1.0 O A:HOH667 4.0 31.7 1.0 CD A:GLN108 4.1 9.1 1.0 OE1 A:GLN108 4.1 11.4 1.0 CD1 A:LEU111 4.2 7.9 1.0 CB A:LEU111 4.2 6.4 1.0 OD1 A:ASP112 4.7 9.7 1.0 CG A:LEU111 4.8 7.0 1.0

C.Bernacchioni, C.Pozzi, F.Di Pisa, S.Mangani, P.Turano. Ferroxidase Activity in Eukaryotic Ferritin Is Controlled By Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry V. 22 16213 2016.
ISSN: ISSN 0947-6539
PubMed: 27650996
DOI: 10.1002/CHEM.201602842