Chlorine in PDB 3bhd: Crystal Structure of Human Thiamine Triphosphatase (Thtpa)

All present enzymatic activity of Crystal Structure of Human Thiamine Triphosphatase (Thtpa):
3.6.1.28;

The structure of Crystal Structure of Human Thiamine Triphosphatase (Thtpa), PDB code: 3bhd was solved by R.D.Busam, L.Lehtio, C.H.Arrowsmith, R.Collins, L.G.Dahlgren, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, B.M.Hallberg, M.D.Herman, A.Johansson, I.Johansson, A.Kallas, T.Karlberg, T.Kotenyova, M.Moche, M.E.Nilsson, P.Nordlund, T.Nyman, C.Persson, J.Sagemark, M.Sundstrom, L.Svensson, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, H.Berglund, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.770, 46.810, 71.870, 90.00, 113.97, 90.00
R / Rfree (%)	17.6 / 20.1

The structure of Crystal Structure of Human Thiamine Triphosphatase (Thtpa) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Thiamine Triphosphatase (Thtpa) (pdb code 3bhd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Thiamine Triphosphatase (Thtpa), PDB code: 3bhd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Thiamine Triphosphatase (Thtpa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Thiamine Triphosphatase (Thtpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl217 b:18.1 occ:1.00 SE A:MSE1 4.5 42.6 1.0 CG A:MSE1 4.7 35.4 1.0 CE A:MSE1 4.7 39.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Thiamine Triphosphatase (Thtpa)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Thiamine Triphosphatase (Thtpa) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl218 b:24.1 occ:1.00 O6 A:CIT219 2.6 26.1 1.0 O A:HOH268 3.0 31.2 1.0 N A:LYS193 3.0 10.8 1.0 NZ A:LYS193 3.1 12.9 1.0 O5 A:CIT219 3.2 24.2 1.0 C6 A:CIT219 3.3 27.2 1.0 CG A:LYS193 3.5 9.6 1.0 O A:HOH293 3.6 15.8 1.0 CA A:ALA192 3.6 11.2 1.0 O A:HOH297 3.7 38.9 1.0 NZ A:LYS11 3.7 21.6 1.0 C A:ALA192 3.8 10.7 1.0 CB A:LYS193 3.9 9.9 1.0 CE A:LYS11 3.9 18.7 1.0 CE A:LYS193 3.9 12.1 1.0 CB A:ALA192 4.0 11.6 1.0 CA A:LYS193 4.0 9.5 1.0 CD A:LYS193 4.2 11.1 1.0 CG1 A:VAL155 4.4 13.5 1.0 CD A:LYS11 4.4 17.0 1.0 C3 A:CIT219 4.7 27.1 1.0 O A:HOH295 4.8 25.8 1.0 N A:ALA192 4.9 11.6 1.0 O4 A:CIT219 4.9 32.6 1.0 O A:PRO191 4.9 12.2 1.0

R.D.Busam, L.Lehtio, C.H.Arrowsmith, R.Collins, L.G.Dahlgren, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, B.M.Hallberg, M.D.Herman, A.Johansson, I.Johansson, A.Kallas, T.Karlberg, T.Kotenyova, M.Moche, M.E.Nilsson, P.Nordlund, T.Nyman, C.Persson, J.Sagemark, M.Sundstrom, L.Svensson, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, H.Berglund. Crystal Structure of Human Thiamine Triphosphatase. To Be Published.