Bromine in PDB 4b29: Crystal Structures of Dmsp Lyases Rddddp and Rndddqii

The structure of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii, PDB code: 4b29 was solved by J.H.Hehemann, A.Law, L.Redecke, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	102.91 / 1.72
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	145.540, 145.540, 145.540, 90.00, 90.00, 90.00
R / Rfree (%)	16.176 / 17.572

The structure of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Bromine atom in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii (pdb code 4b29). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii, PDB code: 4b29:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1202 b:25.7 occ:0.30 O A:HOH2009 2.9 30.6 1.0 NE1 A:TRP30 3.1 17.4 1.0 NH1 A:ARG15 3.4 37.5 1.0 O A:HOH2069 3.5 25.5 1.0 CD1 A:LEU34 3.7 23.2 1.0 CD A:ARG15 3.9 22.8 1.0 CD2 A:LEU11 4.0 14.7 1.0 CD1 A:TRP30 4.0 18.9 1.0 CE2 A:TRP30 4.1 16.0 1.0 CZ A:ARG15 4.4 38.5 1.0 CZ2 A:TRP30 4.4 17.6 1.0 CG A:LEU11 4.4 14.8 1.0 O A:HOH2014 4.5 42.0 1.0 NE A:ARG15 4.5 30.7 1.0 CB A:LEU34 4.7 16.7 1.0 O A:PRO31 4.7 21.8 1.0 CG A:ARG15 4.8 15.2 1.0 CG A:LEU34 4.9 18.4 1.0 CB A:ARG15 4.9 12.5 1.0

Bromine binding site 2 out of 5 in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1203 b:74.1 occ:1.00 CG A:GLN109 3.6 10.7 1.0 CB A:GLN109 3.7 11.4 1.0 O A:HOH2077 3.8 44.3 1.0 O A:HOH2169 4.0 47.0 1.0 CD A:GLN109 4.5 11.9 1.0 OE1 A:GLN109 4.8 12.6 1.0

Bromine binding site 3 out of 5 in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1204 b:29.8 occ:0.30 NE A:ARG15 2.9 30.7 1.0 NH2 A:ARG15 3.4 39.3 1.0 CZ A:ARG15 3.6 38.5 1.0 CG A:ARG15 3.7 15.2 1.0 OE1 A:GLU19 3.8 13.2 0.5 CD A:ARG15 3.9 22.8 1.0 CB A:TRP30 4.1 15.0 1.0 CB A:GLU19 4.3 13.4 0.5 CG A:TRP30 4.4 15.1 1.0 CD A:GLU19 4.4 16.3 0.5 CD1 A:TRP30 4.5 18.9 1.0 O A:HOH2068 4.5 22.0 1.0 CB A:GLU19 4.6 13.7 0.5 CG A:GLU19 4.6 13.7 0.5 CD A:GLU19 4.7 28.6 0.5 OE1 A:GLU19 4.7 31.8 0.5 O A:ARG15 4.7 11.8 1.0 NH1 A:ARG15 4.9 37.5 1.0 OE2 A:GLU19 4.9 33.7 0.5 CG A:GLU19 5.0 19.8 0.5

Bromine binding site 4 out of 5 in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1207 b:44.1 occ:0.30 O A:HOH2206 2.2 24.9 0.5 O A:HOH2220 3.0 17.8 1.0 O A:HOH2112 3.3 20.4 1.0 CD A:PRO150 3.9 12.6 1.0 O A:HOH2205 4.2 43.8 1.0 CB A:ALA149 4.3 13.0 1.0 O A:HOH2114 4.6 21.7 1.0 CG A:PRO150 4.8 13.1 1.0 O A:HOH2113 4.8 21.5 1.0 CA A:ALA149 4.8 12.5 1.0 O A:HOH2219 5.0 13.6 1.0

Bromine binding site 5 out of 5 in the Crystal Structures of Dmsp Lyases Rddddp and Rndddqii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structures of Dmsp Lyases Rddddp and Rndddqii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1208 b:97.4 occ:0.30 O A:HOH2236 2.6 21.4 1.0 O A:HOH2029 3.5 36.9 1.0 O A:HOH2237 3.8 32.7 1.0 O A:HOH2129 3.9 42.3 1.0 N A:GLY185 4.1 10.9 1.0 CA A:GLY185 4.2 11.0 1.0 C A:GLY185 4.9 13.2 1.0 O A:HOH2168 4.9 33.2 1.0

J.H.Hehemann, A.Law, L.Redecke, A.B.Boraston. Crystal Structures of Dmsp Lyases Rddddp and Rndddqii To Be Published.