Chlorine in PDB 5e26: Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate

All present enzymatic activity of Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate:
2.7.1.33;

The structure of Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate, PDB code: 5e26 was solved by A.Dong, P.Loppnau, M.Ravichandran, C.Cheng, W.Tempel, A.Seitova, A.Hutchinson, B.S.Hong, C.Bountra, C.H.Arrowsmith, A.M.Edwards, P.J.Brown, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 2.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.874, 109.717, 142.571, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25.1

The binding sites of Chlorine atom in the Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate (pdb code 5e26). 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 PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate, PDB code: 5e26:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate


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 PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:30.9 occ:1.00 OH B:TYR227 2.9 30.1 1.0 NH2 B:ARG249 3.1 46.6 1.0 NE B:ARG249 3.2 45.4 1.0 O B:HOH706 3.2 23.2 1.0 CD B:PRO230 3.6 29.5 1.0 CZ B:ARG249 3.6 45.4 1.0 CB B:PRO212 3.8 34.0 1.0 CE1 B:TYR227 3.8 29.2 1.0 CB B:PHE211 3.8 36.0 1.0 CA B:PRO212 3.8 34.0 1.0 CZ B:TYR227 3.8 29.6 1.0 CD1 B:LEU245 3.9 38.1 1.0 CG B:PRO230 3.9 29.8 1.0 CD B:ARG249 4.3 44.5 1.0 CG B:PHE211 4.4 36.5 1.0 CG B:ARG249 4.4 44.2 1.0 O B:PHE228 4.4 29.0 1.0 N B:PRO212 4.6 33.4 1.0 CB B:ARG249 4.6 42.6 1.0 CD1 B:PHE211 4.7 36.7 1.0 CA B:PHE211 4.8 37.1 1.0 CG B:LEU245 4.9 38.9 1.0 NH1 B:ARG249 4.9 47.2 1.0 N B:TRP213 4.9 30.2 1.0 C B:PHE211 4.9 34.9 1.0 C B:PRO212 5.0 32.2 1.0 CG B:PRO212 5.0 34.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate


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 PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl604 b:31.8 occ:1.00 OH D:TYR227 2.9 29.6 1.0 O D:HOH734 3.0 25.6 1.0 NH2 D:ARG249 3.2 29.9 1.0 NE D:ARG249 3.2 32.2 1.0 CZ D:ARG249 3.6 31.4 1.0 CD D:PRO230 3.7 32.2 1.0 CE1 D:TYR227 3.8 28.9 1.0 CB D:PRO212 3.8 35.0 1.0 CZ D:TYR227 3.8 28.4 1.0 CD1 D:LEU245 3.8 34.6 1.0 CA D:PRO212 3.9 34.8 1.0 CB D:PHE211 3.9 34.3 1.0 CG D:PRO230 4.1 33.5 1.0 CG D:PHE211 4.1 33.8 1.0 CB D:ARG249 4.3 33.8 1.0 CD D:ARG249 4.4 33.3 1.0 CG D:ARG249 4.4 33.6 1.0 CD1 D:PHE211 4.5 33.8 1.0 CD2 D:PHE211 4.6 33.1 1.0 O D:PHE228 4.6 29.2 1.0 N D:PRO212 4.6 35.0 1.0 CG D:LEU245 4.8 33.4 1.0 CA D:PHE211 4.9 35.0 1.0 NH1 D:ARG249 5.0 32.4 1.0 O D:LEU245 5.0 35.0 1.0

P.Loppnau, A.Dong, M.Ravichandran, C.Cheng, W.Tempel, A.Seitova, A.Hutchinson, B.S.Hong, C.Bountra, C.H.Arrowsmith, A.M.Edwards, P.J.Brown, Structural Genomics Consortium (Sgc). Crystal Structure of Human PANK2: the Catalytic Core Domain in Complex with Pantothenate and Adenosine Diphosphate To Be Published.