Bromine in PDB 6dfo: Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine

All present enzymatic activity of Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine:
3.6.4.10;

The structure of Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine, PDB code: 6dfo was solved by R.P.Ferrie, Y.Chen, T.Antoshchenko, O.M.Cooney, Y.Huang, H.W.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.69 / 2.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.556, 74.734, 89.670, 90.00, 98.78, 90.00
R / Rfree (%)	18.7 / 25.1

The binding sites of Bromine atom in the Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine (pdb code 6dfo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine, PDB code: 6dfo:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:98.2 occ:1.00 BR8 A:GBA501 0.0 98.2 1.0 C8 A:GBA501 1.9 72.0 1.0 N7 A:GBA501 2.9 59.1 1.0 N9 A:GBA501 2.9 57.6 1.0 C1' A:GBA501 3.5 52.2 1.0 O4' A:GBA501 3.5 50.7 1.0 C2' A:GBA501 3.6 47.6 1.0 CD1 A:ILE61 3.6 26.3 1.0 O A:HOH673 3.7 52.7 1.0 CZ A:ARG297 3.8 56.4 1.0 CA A:GLY364 3.8 26.6 1.0 C5' A:GBA501 3.9 52.2 1.0 NH1 A:ARG297 3.9 42.0 1.0 NH2 A:ARG297 3.9 44.1 1.0 C5 A:GBA501 4.0 50.6 1.0 C4 A:GBA501 4.0 51.0 1.0 C4' A:GBA501 4.2 49.0 1.0 O5' A:GBA501 4.2 55.0 1.0 NE A:ARG297 4.3 45.4 1.0 CB A:ASP391 4.4 34.3 1.0 C3' A:GBA501 4.4 45.5 1.0 OD2 A:ASP391 4.5 61.7 1.0 N A:GLY364 4.6 26.8 1.0 CG A:ASP391 4.6 55.3 1.0 O2' A:GBA501 4.7 45.2 1.0 C A:GLY364 4.7 28.9 1.0 NH1 A:ARG367 4.7 85.9 1.0 CD A:ARG297 5.0 37.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:90.3 occ:1.00 BR8 B:GBA501 0.0 90.3 1.0 C8 B:GBA501 1.9 65.0 1.0 N7 B:GBA501 2.9 52.2 1.0 N9 B:GBA501 2.9 53.4 1.0 CD1 B:ILE61 3.4 26.0 1.0 C1' B:GBA501 3.4 50.4 1.0 O4' B:GBA501 3.5 49.8 1.0 C2' B:GBA501 3.5 47.0 1.0 NH1 B:ARG297 3.7 38.7 1.0 CZ B:ARG297 3.7 52.1 1.0 NH2 B:ARG297 3.8 43.6 1.0 C5' B:GBA501 4.0 47.9 1.0 CA B:GLY364 4.0 29.8 1.0 C5 B:GBA501 4.0 46.4 1.0 C4 B:GBA501 4.0 49.1 1.0 C4' B:GBA501 4.1 46.7 1.0 NE B:ARG297 4.3 40.2 1.0 C3' B:GBA501 4.3 42.5 1.0 O5' B:GBA501 4.3 47.0 1.0 CB B:ASP391 4.4 27.6 1.0 OD2 B:ASP391 4.4 51.3 1.0 CG B:ASP391 4.6 43.3 1.0 O2' B:GBA501 4.6 45.7 1.0 NH1 B:ARG367 4.7 78.3 1.0 N B:GLY364 4.7 29.6 1.0 CG1 B:ILE61 4.8 23.2 1.0 C B:GLY364 4.9 34.9 1.0 CD B:ARG297 5.0 37.5 1.0

R.P.Ferrie, Y.Chen, T.Antoshchenko, O.M.Cooney, Y.Huang, H.W.Park. Crystal Structure of Human GRP78 in Complex with 8-Bromoadenosine To Be Published.