Bromine in PDB 8vjq: Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera

All present enzymatic activity of Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera:
1.11.1.18;

The structure of Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Vanadium	(V)	2 atoms

The binding sites of Bromine atom in the Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera (pdb code 8vjq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera, PDB code: 8vjq:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:30.0 occ:1.00 NH1 A:ARG397 2.4 37.9 1.0 NH2 A:ARG397 2.6 47.0 1.0 CZ A:ARG397 2.9 45.1 1.0 CD2 A:LEU393 3.1 18.8 1.0 O A:HOH702 3.2 30.0 1.0 NE2 A:HIS480 3.5 17.5 1.0 CA A:GLY486 3.6 13.4 1.0 CE1 A:HIS480 3.7 17.0 1.0 CE A:LYS400 3.7 10.5 1.0 CD2 A:HIS480 4.0 16.5 1.0 CG1 A:VAL396 4.1 16.4 1.0 O1 A:VO4603 4.2 40.1 1.0 N A:GLY486 4.2 15.1 1.0 ND1 A:HIS480 4.2 15.8 1.0 NE A:ARG397 4.2 46.7 1.0 CE2 B:PHE373 4.4 26.7 1.0 CG2 B:VAL374 4.4 23.7 1.0 CD A:LYS400 4.4 3.6 1.0 CG A:HIS480 4.4 14.9 1.0 CD2 B:PHE373 4.5 24.8 1.0 CG A:LEU393 4.6 15.3 1.0 C A:GLY486 4.6 14.6 1.0 NZ A:LYS400 4.7 15.5 1.0 CD2 A:LEU337 4.8 24.1 1.0

Bromine binding site 2 out of 2 in the Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bromide-Bound Vanadium-Dependent Bromoperoxidase From Corallina Pilulifera within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:30.0 occ:1.00 O B:HOH702 2.2 30.0 1.0 NH1 B:ARG397 2.6 42.3 1.0 CD2 B:LEU393 3.0 18.6 1.0 NH2 B:ARG397 3.2 49.3 1.0 CA B:GLY486 3.3 15.8 1.0 CZ B:ARG397 3.3 45.5 1.0 NE2 B:HIS480 3.7 18.5 1.0 CE1 B:HIS480 3.7 16.9 1.0 N B:GLY486 4.0 17.8 1.0 CE B:LYS400 4.0 9.1 1.0 O1 B:VO4603 4.2 48.1 1.0 C B:GLY486 4.3 15.2 1.0 CD2 B:HIS480 4.3 16.3 1.0 ND1 B:HIS480 4.3 15.5 1.0 CG2 A:VAL374 4.3 27.2 1.0 CD2 B:LEU337 4.4 22.7 1.0 CG1 B:VAL396 4.4 16.6 1.0 CG B:LEU393 4.5 15.8 1.0 NE B:ARG397 4.6 45.8 1.0 CG B:HIS480 4.6 15.7 1.0 N B:HIS487 4.8 50.2 1.0 NZ B:LYS400 4.8 12.9 1.0 V B:VO4603 4.9 61.5 1.0 CD B:LYS400 4.9 2.3 1.0 CD1 B:LEU393 4.9 21.0 1.0 CD2 A:PHE373 4.9 21.6 1.0

L.Z.Hessefort, D.R.Williams, K.F.Biegasiewicz. High-Resolution Cryoem Unveils Insights Into the Catalytic Mechanism of A Vanadium-Dependent Bromoperoxidase To Be Published.