Chlorine in PDB 4obr: Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid

All present enzymatic activity of Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid:
3.2.1.76;

The structure of Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid, PDB code: 4obr was solved by H.Y.Bie, J.Yin, X.He, A.R.Kermode, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.94 / 2.46
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	258.940, 258.940, 71.530, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 23.9

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid (pdb code 4obr). 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 Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid, PDB code: 4obr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid


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 Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl914 b:37.3 occ:1.00 NH2 A:ARG313 2.9 36.5 1.0 NE A:ARG313 3.3 35.7 1.0 O A:LEU303 3.3 36.2 1.0 NE A:ARG363 3.4 30.1 1.0 N A:LEU303 3.4 36.5 1.0 CZ A:ARG313 3.5 36.3 1.0 CD A:PRO302 3.6 37.0 1.0 CG A:ARG363 3.8 30.1 1.0 CH2 A:TRP312 3.8 33.4 1.0 N A:PRO302 3.8 37.5 1.0 CB A:PRO302 3.9 37.1 1.0 CG A:PRO302 4.0 37.8 1.0 CB A:ASP301 4.0 37.6 1.0 CD A:ARG363 4.0 30.0 1.0 CA A:LEU303 4.0 36.7 1.0 CB A:LEU303 4.1 37.0 1.0 C A:LEU303 4.1 37.9 1.0 CA A:PRO302 4.2 37.2 1.0 C A:PRO302 4.2 36.6 1.0 CZ3 A:TRP312 4.2 33.4 1.0 CZ A:ARG363 4.3 31.2 1.0 NH1 A:ARG363 4.4 31.9 1.0 C A:ASP301 4.4 37.0 1.0 CE1 A:TYR318 4.5 32.8 1.0 CB A:ARG363 4.5 30.1 1.0 CD A:ARG313 4.5 35.4 1.0 CA A:ASP301 4.6 35.9 1.0 OH A:TYR318 4.7 33.5 1.0 NH1 A:ARG313 4.8 36.8 1.0 CG A:ARG313 4.8 35.0 1.0 CZ A:TYR318 4.8 33.8 1.0 CZ2 A:TRP312 4.9 33.5 1.0 CG A:ASP301 5.0 38.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid


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 Alpha-L-Iduronidase Complex with Alpha-L- Iduronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl922 b:32.7 occ:1.00 NH2 B:ARG313 3.0 32.2 1.0 NE B:ARG363 3.2 31.2 1.0 O B:LEU303 3.3 33.2 1.0 NE B:ARG313 3.3 31.7 1.0 N B:LEU303 3.3 33.0 1.0 CG B:ARG363 3.5 28.9 1.0 CZ B:ARG313 3.6 31.3 1.0 CH2 B:TRP312 3.6 35.4 1.0 CD B:PRO302 3.6 31.5 1.0 CD B:ARG363 3.7 30.7 1.0 N B:PRO302 3.9 32.1 1.0 CB B:PRO302 4.0 31.6 1.0 CA B:LEU303 4.0 33.6 1.0 C B:LEU303 4.0 32.5 1.0 CB B:LEU303 4.0 34.5 1.0 CB B:ASP301 4.1 31.1 1.0 CG B:PRO302 4.1 31.6 1.0 CZ3 B:TRP312 4.1 35.2 1.0 CZ B:ARG363 4.2 33.1 1.0 CB B:ARG363 4.2 28.0 1.0 C B:PRO302 4.2 32.6 1.0 O B:HOH1034 4.2 19.1 1.0 CA B:PRO302 4.3 31.8 1.0 CE1 B:TYR318 4.4 25.5 1.0 NH1 B:ARG363 4.4 34.9 1.0 CD B:ARG313 4.5 31.0 1.0 CZ2 B:TRP312 4.6 34.5 1.0 C B:ASP301 4.6 31.8 1.0 OH B:TYR318 4.6 26.0 1.0 CZ B:TYR318 4.7 24.9 1.0 CG B:ARG313 4.8 31.4 1.0 CA B:ASP301 4.8 30.7 1.0 NH1 B:ARG313 4.9 31.0 1.0 CG B:ASP301 4.9 30.8 1.0 OD1 B:ASP301 5.0 32.0 1.0 CD1 B:TYR318 5.0 25.3 1.0

H.Y.Bie, J.Yin, X.He, A.R.Kermode, M.N.G.James. Crystal Structure of Human Alpha-L-Iduronidase Complex with Alpha-L-Iduronic Acid To Be Published.