Bromine in PDB 9jqb: Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA

All present enzymatic activity of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA:
1.16.3.1;

The structure of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA also contains other interesting chemical elements:

Sodium

(Na)

24 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 48;

Binding sites:

The binding sites of Bromine atom in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA (pdb code 9jqb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 48 binding sites of Bromine where determined in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA, PDB code: 9jqb:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Br63 b:48.0 occ:1.00 BR A:33W63 0.0 48.0 1.0 C3 A:33W63 1.9 6.7 1.0 C4 A:33W63 3.0 8.1 1.0 S2 A:33W63 3.2 21.0 1.0 BR V:33W63 3.6 48.0 1.0 C3 V:33W63 4.2 6.7 1.0 O A:LEU28 4.2 0.0 1.0 C5 A:33W63 4.3 7.4 1.0 N A:TYR32 4.4 0.0 1.0 CB A:TYR32 4.4 0.4 1.0 CD1 A:TYR32 4.4 0.0 1.0 OG A:SER31 4.4 9.5 1.0 CD1 V:ILE85 4.4 0.0 1.0 CB A:SER31 4.5 3.5 1.0 C1 A:33W63 4.5 8.6 1.0 CA A:TYR32 4.5 0.0 1.0 CD1 A:ILE85 4.6 0.0 1.0 CG A:TYR32 4.7 0.6 1.0 S2 V:33W63 4.7 21.0 1.0 C A:SER31 4.8 0.0 1.0

Bromine binding site 2 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Br67 b:50.1 occ:1.00 BR A:33W67 0.0 50.1 1.0 C3 A:33W67 1.9 9.5 1.0 C4 A:33W67 3.0 8.7 1.0 S2 A:33W67 3.2 19.4 1.0 C4 V:33W63 3.3 8.1 1.0 C5 V:33W63 3.4 7.4 1.0 NE2 V:HIS60 3.6 8.4 1.0 CD2 V:HIS60 3.7 6.3 1.0 CB A:33W63 4.1 4.7 1.0 C5 A:33W67 4.3 5.2 1.0 C1 A:33W63 4.3 8.6 1.0 C1 A:33W67 4.5 6.3 1.0 CE1 V:HIS60 4.5 6.0 1.0 C3 V:33W63 4.6 6.7 1.0 CG V:HIS60 4.6 3.9 1.0 C1 V:33W63 4.7 8.6 1.0 OG V:SER59 4.7 7.2 1.0 S2 A:33W63 4.7 21.0 1.0 O A:HOH414 4.7 11.3 1.0 C5 A:33W63 4.8 7.4 1.0 CD1 V:LEU35 5.0 1.5 1.0

Bromine binding site 3 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ B:Br63 b:48.0 occ:1.00 BR B:33W63 0.0 48.0 1.0 C3 B:33W63 1.9 6.7 1.0 C4 B:33W63 3.0 8.1 1.0 S2 B:33W63 3.2 21.0 1.0 BR X:33W63 3.6 48.0 1.0 C3 X:33W63 4.2 6.7 1.0 O B:LEU28 4.2 0.0 1.0 C5 B:33W63 4.3 7.4 1.0 N B:TYR32 4.4 0.0 1.0 CB B:TYR32 4.4 0.4 1.0 CD1 B:TYR32 4.4 0.0 1.0 OG B:SER31 4.4 9.5 1.0 CD1 X:ILE85 4.4 0.0 1.0 CB B:SER31 4.5 3.5 1.0 C1 B:33W63 4.5 8.6 1.0 CA B:TYR32 4.5 0.0 1.0 CD1 B:ILE85 4.6 0.0 1.0 CG B:TYR32 4.7 0.6 1.0 S2 X:33W63 4.7 21.0 1.0 C B:SER31 4.8 0.0 1.0

Bromine binding site 4 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ B:Br67 b:50.1 occ:1.00 BR B:33W67 0.0 50.1 1.0 C3 B:33W67 1.9 9.5 1.0 C4 B:33W67 3.0 8.7 1.0 S2 B:33W67 3.2 19.4 1.0 C4 X:33W63 3.3 8.1 1.0 C5 X:33W63 3.4 7.4 1.0 NE2 X:HIS60 3.6 8.4 1.0 CD2 X:HIS60 3.7 6.3 1.0 CB B:33W63 4.1 4.7 1.0 C5 B:33W67 4.3 5.2 1.0 C1 B:33W63 4.3 8.6 1.0 C1 B:33W67 4.5 6.3 1.0 CE1 X:HIS60 4.5 6.0 1.0 C3 X:33W63 4.6 6.7 1.0 CG X:HIS60 4.6 3.9 1.0 C1 X:33W63 4.7 8.6 1.0 OG X:SER59 4.7 7.2 1.0 S2 B:33W63 4.7 21.0 1.0 O B:HOH414 4.7 11.3 1.0 C5 B:33W63 4.8 7.4 1.0 CD1 X:LEU35 5.0 1.5 1.0

Bromine binding site 5 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ C:Br63 b:48.0 occ:1.00 BR C:33W63 0.0 48.0 1.0 C3 C:33W63 1.9 6.7 1.0 C4 C:33W63 3.0 8.1 1.0 S2 C:33W63 3.2 21.0 1.0 BR L:33W63 3.6 48.0 1.0 C3 L:33W63 4.2 6.7 1.0 O C:LEU28 4.2 0.0 1.0 C5 C:33W63 4.3 7.4 1.0 N C:TYR32 4.4 0.0 1.0 CB C:TYR32 4.4 0.4 1.0 CD1 C:TYR32 4.4 0.0 1.0 OG C:SER31 4.4 9.5 1.0 CD1 L:ILE85 4.4 0.0 1.0 CB C:SER31 4.5 3.5 1.0 C1 C:33W63 4.5 8.6 1.0 CA C:TYR32 4.5 0.0 1.0 CD1 C:ILE85 4.6 0.0 1.0 CG C:TYR32 4.7 0.6 1.0 S2 L:33W63 4.7 21.0 1.0 C C:SER31 4.8 0.0 1.0

Bromine binding site 6 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ C:Br67 b:50.1 occ:1.00 BR C:33W67 0.0 50.1 1.0 C3 C:33W67 1.9 9.5 1.0 C4 C:33W67 3.0 8.7 1.0 S2 C:33W67 3.2 19.4 1.0 C4 L:33W63 3.3 8.1 1.0 C5 L:33W63 3.4 7.4 1.0 NE2 L:HIS60 3.6 8.4 1.0 CD2 L:HIS60 3.7 6.3 1.0 CB C:33W63 4.1 4.7 1.0 C5 C:33W67 4.3 5.2 1.0 C1 C:33W63 4.3 8.6 1.0 C1 C:33W67 4.5 6.3 1.0 CE1 L:HIS60 4.5 6.0 1.0 C3 L:33W63 4.6 6.7 1.0 CG L:HIS60 4.6 3.9 1.0 C1 L:33W63 4.7 8.6 1.0 OG L:SER59 4.7 7.2 1.0 S2 C:33W63 4.7 21.0 1.0 O C:HOH414 4.7 11.3 1.0 C5 C:33W63 4.8 7.4 1.0 CD1 L:LEU35 5.0 1.5 1.0

Bromine binding site 7 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ D:Br63 b:48.0 occ:1.00 BR D:33W63 0.0 48.0 1.0 C3 D:33W63 1.9 6.7 1.0 C4 D:33W63 3.0 8.1 1.0 S2 D:33W63 3.2 21.0 1.0 BR N:33W63 3.6 48.0 1.0 C3 N:33W63 4.2 6.7 1.0 O D:LEU28 4.2 0.0 1.0 C5 D:33W63 4.3 7.4 1.0 N D:TYR32 4.4 0.0 1.0 CB D:TYR32 4.4 0.4 1.0 CD1 D:TYR32 4.4 0.0 1.0 OG D:SER31 4.4 9.5 1.0 CD1 N:ILE85 4.4 0.0 1.0 CB D:SER31 4.5 3.5 1.0 C1 D:33W63 4.5 8.6 1.0 CA D:TYR32 4.5 0.0 1.0 CD1 D:ILE85 4.6 0.0 1.0 CG D:TYR32 4.7 0.6 1.0 S2 N:33W63 4.7 21.0 1.0 C D:SER31 4.8 0.0 1.0

Bromine binding site 8 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ D:Br67 b:50.1 occ:1.00 BR D:33W67 0.0 50.1 1.0 C3 D:33W67 1.9 9.5 1.0 C4 D:33W67 3.0 8.7 1.0 S2 D:33W67 3.2 19.4 1.0 C4 N:33W63 3.3 8.1 1.0 C5 N:33W63 3.4 7.4 1.0 NE2 N:HIS60 3.6 8.4 1.0 CD2 N:HIS60 3.7 6.3 1.0 CB D:33W63 4.1 4.7 1.0 C5 D:33W67 4.3 5.2 1.0 C1 D:33W63 4.3 8.6 1.0 C1 D:33W67 4.5 6.3 1.0 CE1 N:HIS60 4.5 6.0 1.0 C3 N:33W63 4.6 6.7 1.0 CG N:HIS60 4.6 3.9 1.0 C1 N:33W63 4.7 8.6 1.0 OG N:SER59 4.7 7.2 1.0 S2 D:33W63 4.7 21.0 1.0 O D:HOH414 4.7 11.3 1.0 C5 D:33W63 4.8 7.4 1.0 CD1 N:LEU35 5.0 1.5 1.0

Bromine binding site 9 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ E:Br63 b:48.0 occ:1.00 BR E:33W63 0.0 48.0 1.0 C3 E:33W63 1.9 6.7 1.0 C4 E:33W63 3.0 8.1 1.0 S2 E:33W63 3.2 21.0 1.0 BR P:33W63 3.6 48.0 1.0 C3 P:33W63 4.2 6.7 1.0 O E:LEU28 4.2 0.0 1.0 C5 E:33W63 4.3 7.4 1.0 N E:TYR32 4.4 0.0 1.0 CB E:TYR32 4.4 0.4 1.0 CD1 E:TYR32 4.4 0.0 1.0 OG E:SER31 4.4 9.5 1.0 CD1 P:ILE85 4.4 0.0 1.0 CB E:SER31 4.5 3.5 1.0 C1 E:33W63 4.5 8.6 1.0 CA E:TYR32 4.5 0.0 1.0 CD1 E:ILE85 4.6 0.0 1.0 CG E:TYR32 4.7 0.6 1.0 S2 P:33W63 4.7 21.0 1.0 C E:SER31 4.8 0.0 1.0

Bromine binding site 10 out of 48 in the Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Cryo-Em Structure of Ferritin Variant R63BRTHA/E67BRTHA within 5.0Å range: probe atom residue distance (Å) B Occ E:Br67 b:50.1 occ:1.00 BR E:33W67 0.0 50.1 1.0 C3 E:33W67 1.9 9.5 1.0 C4 E:33W67 3.0 8.7 1.0 S2 E:33W67 3.2 19.4 1.0 C4 P:33W63 3.3 8.1 1.0 C5 P:33W63 3.4 7.4 1.0 NE2 P:HIS60 3.6 8.4 1.0 CD2 P:HIS60 3.7 6.3 1.0 CB E:33W63 4.1 4.7 1.0 C5 E:33W67 4.3 5.2 1.0 C1 E:33W63 4.3 8.6 1.0 C1 E:33W67 4.5 6.3 1.0 CE1 P:HIS60 4.5 6.0 1.0 C3 P:33W63 4.6 6.7 1.0 CG P:HIS60 4.6 3.9 1.0 C1 P:33W63 4.7 8.6 1.0 OG P:SER59 4.7 7.2 1.0 S2 E:33W63 4.7 21.0 1.0 O E:HOH414 4.7 11.3 1.0 C5 E:33W63 4.8 7.4 1.0 CD1 P:LEU35 5.0 1.5 1.0

J.C.Tsou, C.J.Tsou, C.H.Wang, A.A.Ko, Y.H.Wang, H.H.Liang, J.C.Sun, K.F.Huang, T.P.Ko, S.Y.Lin, Y.S.Wang. Site-Specific Histidine Aza-Michael Addition in Proteins Enabled By A Ferritin-Based Metalloenzyme. J.Am.Chem.Soc. 2024.
ISSN: ESSN 1520-5126
PubMed: 39499210
DOI: 10.1021/JACS.4C14446