Bromine in PDB 5v7d: T4 Lysozyme Y18YMBR

All present enzymatic activity of T4 Lysozyme Y18YMBR:
3.2.1.17;

The structure of T4 Lysozyme Y18YMBR, PDB code: 5v7d was solved by A.-C.C.Carlsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.22 / 1.35
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.430, 60.430, 96.660, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 21.4

The binding sites of Bromine atom in the T4 Lysozyme Y18YMBR (pdb code 5v7d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the T4 Lysozyme Y18YMBR, PDB code: 5v7d:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the T4 Lysozyme Y18YMBR


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of T4 Lysozyme Y18YMBR within 5.0Å range: probe atom residue distance (Å) B Occ A:Br18 b:16.5 occ:0.06 BR A:BYR18 0.0 16.5 0.1 CE1 A:BYR18 1.0 17.1 0.8 CZ A:BYR18 1.8 14.7 0.8 CE2 A:BYR18 1.9 17.5 0.2 CD1 A:BYR18 2.2 15.0 0.8 OH A:BYR18 2.2 16.1 0.8 CD2 A:BYR18 2.9 17.7 0.2 O A:GLY28 2.9 15.9 1.0 CZ A:BYR18 2.9 16.5 0.2 CE2 A:BYR18 3.0 13.0 0.8 N A:GLY28 3.1 13.4 1.0 OH A:BYR18 3.1 20.2 0.2 C A:ILE27 3.2 14.2 1.0 O A:HOH367 3.3 16.5 0.3 O A:HOH367 3.3 19.2 0.7 CG A:BYR18 3.4 16.9 0.8 CA A:ILE27 3.4 14.5 1.0 O A:ARG14 3.6 16.7 1.0 CB A:ARG14 3.6 16.9 1.0 C A:GLY28 3.6 13.7 1.0 CD2 A:BYR18 3.7 16.1 0.8 O A:ILE27 3.7 14.4 1.0 CA A:GLY28 3.9 14.4 1.0 N A:ILE27 3.9 14.6 1.0 N A:ARG14 3.9 15.9 1.0 CA A:ARG14 4.1 17.0 1.0 CG A:BYR18 4.2 18.1 0.2 CG A:ARG14 4.2 17.4 1.0 CG2 A:THR26 4.2 12.4 1.0 C A:ARG14 4.2 15.2 1.0 CE1 A:BYR18 4.2 18.8 0.2 C A:THR26 4.3 15.3 1.0 CD A:ARG14 4.4 19.2 1.0 O A:THR26 4.4 15.7 1.0 N A:GLY30 4.5 13.8 1.0 BR A:BYR18 4.6 16.6 0.4 O A:HOH466 4.6 26.8 1.0 N A:ILE29 4.7 13.0 1.0 CD1 A:BYR18 4.7 17.3 0.2 CB A:BYR18 4.7 16.7 0.8 O A:LYS16 4.8 20.8 1.0 CB A:ILE27 4.8 17.1 1.0 O A:HOH318 4.8 20.4 0.7 CB A:THR26 4.9 13.5 1.0 CG1 A:ILE27 5.0 17.4 1.0

Bromine binding site 2 out of 2 in the T4 Lysozyme Y18YMBR


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of T4 Lysozyme Y18YMBR within 5.0Å range: probe atom residue distance (Å) B Occ A:Br18 b:16.6 occ:0.42 BR A:BYR18 0.0 16.6 0.4 OH A:BYR18 1.7 20.2 0.2 CE2 A:BYR18 1.9 13.0 0.8 CE1 A:BYR18 2.1 18.8 0.2 CZ A:BYR18 2.1 16.5 0.2 O A:HOH318 2.2 14.8 0.3 O A:HOH534 2.5 21.0 0.3 CD2 A:BYR18 2.9 16.1 0.8 CZ A:BYR18 2.9 14.7 0.8 OH A:BYR18 3.1 16.1 0.8 O A:HOH318 3.3 20.4 0.7 CD1 A:BYR18 3.4 17.3 0.2 CE2 A:BYR18 3.4 17.5 0.2 CA A:ASP20 3.5 14.2 1.0 O A:HOH534 3.5 17.8 0.7 O A:HOH513 3.6 21.7 1.0 O A:HOH511 3.6 23.8 1.0 CB A:ASP20 3.7 15.0 1.0 O A:HOH464 3.7 25.6 1.0 O A:HOH466 3.8 26.8 1.0 CG2 A:THR26 4.0 12.4 1.0 O A:LYS19 4.1 16.2 1.0 N A:ASP20 4.1 15.0 1.0 CG A:BYR18 4.2 16.9 0.8 CE1 A:BYR18 4.2 17.1 0.8 O A:HOH367 4.3 16.5 0.3 C A:LYS19 4.3 13.9 1.0 CB A:THR26 4.3 13.5 1.0 CG A:BYR18 4.4 18.1 0.2 CD2 A:BYR18 4.4 17.7 0.2 C A:ASP20 4.6 16.7 1.0 BR A:BYR18 4.6 16.5 0.1 CD1 A:BYR18 4.7 15.0 0.8 OG1 A:THR26 4.7 17.1 1.0 N A:THR21 4.9 15.5 1.0 O A:HOH367 5.0 19.2 0.7

A.C.Carlsson, M.R.Scholfield, R.K.Rowe, M.C.Ford, A.T.Alexander, R.A.Mehl, P.S.Ho. Increasing Enzyme Stability and Activity Through Hydrogen Bond-Enhanced Halogen Bonds. Biochemistry V. 57 4135 2018.
ISSN: ISSN 1520-4995
PubMed: 29921126
DOI: 10.1021/ACS.BIOCHEM.8B00603