Bromine in PDB 4pwc: Engineered Oxidase Reveals Steric Control of Oxygen Reduction

The structure of Engineered Oxidase Reveals Steric Control of Oxygen Reduction, PDB code: 4pwc was solved by D.Zafred, W.Keller, P.Macheroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.30 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	117.220, 117.220, 201.490, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 22.5

The structure of Engineered Oxidase Reveals Steric Control of Oxygen Reduction also contains other interesting chemical elements:

Sodium

(Na)

2 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 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70;

Binding sites:

The binding sites of Bromine atom in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction (pdb code 4pwc). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 70 binding sites of Bromine where determined in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction, PDB code: 4pwc:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:37.7 occ:0.13 C4X A:FAD601 2.5 39.2 1.0 C4 A:FAD601 2.6 44.0 1.0 N5 A:FAD601 2.8 43.1 1.0 O4 A:FAD601 3.0 40.5 1.0 N A:VAL149 3.2 38.1 1.0 C10 A:FAD601 3.2 39.1 1.0 CA A:GLY148 3.2 37.5 1.0 N3 A:FAD601 3.3 44.8 1.0 N A:CYS150 3.4 38.6 1.0 C5X A:FAD601 3.4 43.4 1.0 C A:GLY148 3.5 40.7 1.0 CE1 A:HIS158 3.7 34.3 1.0 N1 A:FAD601 3.8 35.8 1.0 CG2 A:VAL153 3.8 38.3 1.0 C2 A:FAD601 3.8 36.4 1.0 CD1 A:LEU129 3.8 33.9 1.0 CB A:CYS150 3.9 45.0 1.0 N10 A:FAD601 4.0 38.7 1.0 C9A A:FAD601 4.0 37.8 1.0 O A:CYS150 4.1 40.5 1.0 CA A:CYS150 4.1 42.3 1.0 ND1 A:HIS158 4.1 31.3 1.0 SG A:CYS150 4.1 45.4 1.0 CB A:VAL153 4.2 36.0 1.0 C6 A:FAD601 4.2 43.9 1.0 CA A:VAL149 4.2 44.4 1.0 C A:VAL149 4.3 47.5 1.0 N A:GLY148 4.3 35.6 1.0 NE2 A:HIS158 4.4 33.7 1.0 CG1 A:VAL153 4.5 31.6 1.0 O A:GLY148 4.5 36.5 1.0 C A:CYS150 4.6 36.9 1.0 O2' A:FAD601 4.7 33.0 1.0 O2 A:FAD601 4.8 38.9 1.0 CB A:VAL149 5.0 45.4 1.0

Bromine binding site 2 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br605 b:75.3 occ:0.50 N A:ALA412 3.4 64.2 1.0 C A:ALA409 3.7 68.6 1.0 CB A:ALA412 3.7 60.2 1.0 O A:ALA409 3.7 64.0 1.0 CA A:ALA409 3.7 73.9 1.0 N A:ALA411 3.8 66.3 1.0 CB A:ALA411 4.1 61.8 1.0 CA A:ALA412 4.2 66.9 1.0 N A:ALA410 4.2 67.8 1.0 CA A:ALA411 4.2 64.9 1.0 C A:ALA411 4.3 64.7 1.0 CB A:ALA409 4.3 64.2 1.0 C A:ALA410 4.5 65.3 1.0 CD A:PRO413 4.6 62.0 1.0 O A:GLY408 4.6 80.4 1.0 CA A:ALA410 4.9 65.8 1.0 N A:ALA409 5.0 74.3 1.0

Bromine binding site 3 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br606 b:59.1 occ:0.39 ND1 A:HIS315 3.3 59.8 1.0 O A:HOH718 3.3 38.6 1.0 CE1 A:HIS315 3.4 59.8 1.0 CG A:PRO151 3.5 39.8 1.0 CD A:PRO151 3.7 42.4 1.0 CD2 A:LEU316 4.1 53.6 1.0 CG A:HIS315 4.6 59.1 1.0 NE2 A:HIS315 4.7 52.9 1.0 N A:PRO151 4.8 41.2 1.0 CG2 A:THR152 4.8 39.2 1.0 CG A:LEU316 4.9 58.3 1.0 CD1 A:LEU316 4.9 57.8 1.0 CB A:PRO151 4.9 41.8 1.0

Bromine binding site 4 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br607 b:85.1 occ:0.64 CB A:ASP244 3.7 63.8 1.0 CG A:GLU294 4.1 72.0 1.0 CB A:GLU294 4.1 68.5 1.0 CG1 A:ILE245 4.2 59.9 1.0 C A:ASP244 4.3 60.8 1.0 OD2 A:ASP244 4.3 79.0 1.0 N A:ILE245 4.4 54.8 1.0 O A:ASP244 4.5 56.5 1.0 CG A:ASP244 4.5 72.1 1.0 CA A:ASP244 4.7 64.0 1.0 CA A:ILE245 4.7 58.3 1.0 O A:GLU294 4.9 72.8 1.0 CA A:GLU294 5.0 63.4 1.0

Bromine binding site 5 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br608 b:95.3 occ:0.61 CD A:LYS291 3.5 73.7 1.0 O A:HOH810 3.5 63.5 1.0 O A:GLN255 4.0 49.2 1.0 CE A:LYS291 4.1 78.5 1.0 NZ A:LYS291 4.2 82.4 1.0 CG A:LYS291 4.2 64.9 1.0 C A:GLN255 4.3 53.2 1.0 CD2 A:LEU256 4.3 53.6 1.0 CB A:LYS291 4.3 65.8 1.0 CG A:GLN255 4.4 67.9 1.0 N A:LEU256 4.5 51.3 1.0 CG1 A:VAL252 4.5 50.3 1.0 CA A:LEU256 4.6 49.5 1.0 O A:VAL252 4.6 52.4 1.0 CB A:GLN255 4.8 64.0 1.0

Bromine binding site 6 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:52.2 occ:0.37 BR A:BR609 0.0 52.2 0.4 BR A:BR609 2.6 83.5 0.6 O A:PRO224 3.7 44.0 1.0 CD A:PRO226 3.9 49.7 1.0 CE A:LYS170 4.1 44.3 1.0 OH A:TYR171 4.1 48.2 1.0 O A:HOH793 4.1 51.9 1.0 CA A:VAL225 4.3 49.5 1.0 CG A:PRO226 4.3 52.6 1.0 C A:PRO224 4.3 45.5 1.0 NZ A:LYS170 4.4 53.6 1.0 N A:PRO226 4.4 52.1 1.0 CD1 A:LEU278 4.5 43.5 1.0 C A:VAL225 4.6 50.8 1.0 N A:VAL225 4.7 45.8 1.0 CB A:LEU278 4.9 46.7 1.0 OD1 A:ASP259 4.9 51.5 1.0 CB A:PRO224 4.9 48.0 1.0 CG A:PRO224 5.0 50.5 1.0

Bromine binding site 7 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:83.5 occ:0.63 BR A:BR609 0.0 83.5 0.6 BR A:BR609 2.6 52.2 0.4 N A:PRO226 3.8 52.1 1.0 C A:VAL225 3.8 50.8 1.0 CB A:PRO224 4.1 48.0 1.0 CD A:PRO226 4.2 49.7 1.0 O A:VAL225 4.2 49.2 1.0 CA A:VAL225 4.2 49.5 1.0 CG A:PRO226 4.3 52.6 1.0 C A:PRO224 4.3 45.5 1.0 N A:VAL225 4.3 45.8 1.0 CA A:PRO226 4.3 50.1 1.0 O A:PRO224 4.4 44.0 1.0 CB A:PRO226 4.8 47.4 1.0 CG A:PRO224 4.8 50.5 1.0 CA A:PRO224 4.8 49.6 1.0

Bromine binding site 8 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br610 b:52.9 occ:0.39 O A:HOH702 3.2 33.4 1.0 OD1 A:ASN438 3.4 32.4 1.0 NH2 A:ARG440 3.6 44.0 1.0 N A:GLY209 3.7 34.3 1.0 O A:ALA437 3.7 38.5 1.0 CA A:GLY208 4.2 33.1 1.0 O4' A:FAD601 4.2 38.3 1.0 CZ A:ARG440 4.2 45.0 1.0 C A:ALA437 4.2 35.9 1.0 CA A:ASN438 4.3 35.7 1.0 CA A:GLY161 4.4 30.9 1.0 C4B A:FAD601 4.4 37.2 1.0 CG A:ASN438 4.5 35.6 1.0 C A:GLY208 4.5 34.2 1.0 N A:ASN438 4.5 30.6 1.0 CA A:GLY209 4.6 35.1 1.0 O4B A:FAD601 4.6 35.9 1.0 NE A:ARG440 4.7 41.2 1.0 CB A:ALA437 4.8 31.5 1.0 OD1 A:ASP87 4.8 33.8 1.0 NH1 A:ARG440 4.8 35.2 1.0 O A:GLY157 4.8 35.8 1.0 O A:HOH737 4.9 37.8 1.0 N A:GLY161 4.9 30.7 1.0

Bromine binding site 9 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br611 b:66.7 occ:0.53 CA A:LYS282 3.7 65.1 1.0 N A:LYS282 3.7 63.5 1.0 CG A:PRO299 3.8 57.8 1.0 SG A:CYS281 3.8 72.7 1.0 C A:CYS281 3.8 64.0 1.0 O A:CYS281 3.9 57.3 1.0 CB A:PRO299 3.9 61.6 1.0 OG1 A:THR285 4.1 59.4 1.0 CB A:CYS281 4.1 62.3 1.0 CB A:LYS282 4.5 70.0 1.0 CA A:CYS281 4.6 64.0 1.0 C A:LYS282 4.7 64.7 1.0 CG A:LYS282 4.8 77.3 1.0 O A:LYS282 4.9 63.3 1.0 CA A:PRO299 4.9 62.8 1.0 CB A:THR285 4.9 60.6 1.0

Bromine binding site 10 out of 70 in the Engineered Oxidase Reveals Steric Control of Oxygen Reduction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Engineered Oxidase Reveals Steric Control of Oxygen Reduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br612 b:81.9 occ:0.65 N A:GLU294 4.0 59.5 1.0 CG A:GLU294 4.0 72.0 1.0 CA A:GLU294 4.1 63.4 1.0 C A:PRO293 4.1 63.6 1.0 CG A:PRO293 4.1 65.5 1.0 CB A:PRO293 4.2 61.9 1.0 O A:PRO293 4.2 63.6 1.0 CD A:GLU294 4.4 75.3 1.0 CB A:GLU294 4.6 68.5 1.0 OE1 A:GLU294 4.7 73.8 1.0 CA A:PRO293 4.8 65.7 1.0

D.Zafred, W.Keller, P.Macheroux. Engineered Oxidase Reveals Steric Control of Oxygen Reduction To Be Published.