Chlorine in PDB 3w82: Human Alpha-L-Iduronidase in Complex with Iduronic Acid

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

The structure of Human Alpha-L-Iduronidase in Complex with Iduronic Acid, PDB code: 3w82 was solved by N.Maita, T.Tsukimura, T.Taniguchi, S.Saito, K.Ohno, H.Taniguchi, H.Sakuraba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.55 / 2.76
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	259.980, 259.980, 65.300, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 25.4

The binding sites of Chlorine atom in the Human Alpha-L-Iduronidase in Complex with Iduronic Acid (pdb code 3w82). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Alpha-L-Iduronidase in Complex with Iduronic Acid, PDB code: 3w82:
Jump to Chlorine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Alpha-L-Iduronidase in Complex with Iduronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl716 b:18.1 occ:1.00 CD A:ARG363 2.9 19.3 1.0 N A:LEU303 3.2 20.4 1.0 O A:LEU303 3.2 19.7 1.0 NH2 A:ARG313 3.3 18.8 1.0 CD A:PRO302 3.5 20.3 1.0 NE A:ARG313 3.6 18.8 1.0 CG A:ARG363 3.7 18.5 1.0 N A:PRO302 3.7 20.1 1.0 CB A:PRO302 3.8 20.1 1.0 NH1 A:ARG363 3.8 20.9 1.0 CZ A:ARG313 3.8 18.6 1.0 CG A:PRO302 3.9 20.0 1.0 CA A:LEU303 3.9 20.4 1.0 C A:LEU303 3.9 20.2 1.0 CB A:ASP301 3.9 20.6 1.0 CH2 A:TRP312 4.1 21.0 1.0 C A:PRO302 4.1 20.1 1.0 NE A:ARG363 4.1 20.0 1.0 CA A:PRO302 4.1 20.1 1.0 CB A:LEU303 4.2 20.9 1.0 CB A:ARG363 4.3 18.3 1.0 C A:ASP301 4.4 20.6 1.0 CZ A:ARG363 4.4 20.7 1.0 CE2 A:TYR318 4.5 21.9 1.0 CA A:ASP301 4.6 20.7 1.0 CZ3 A:TRP312 4.6 21.3 1.0 OH A:TYR318 4.6 21.9 1.0 CD A:ARG313 4.7 19.1 1.0 CG A:ASP301 4.8 20.2 1.0 CZ A:TYR318 4.8 22.1 1.0 CG A:ARG313 5.0 19.7 1.0 OD1 A:ASP301 5.0 20.4 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Alpha-L-Iduronidase in Complex with Iduronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl719 b:15.2 occ:1.00 CD B:ARG363 3.1 21.2 1.0 NE B:ARG313 3.2 22.9 1.0 NH2 B:ARG313 3.3 23.8 1.0 N B:LEU303 3.3 23.2 1.0 O B:LEU303 3.5 23.7 1.0 CH2 B:TRP312 3.5 23.2 1.0 CZ B:ARG313 3.6 23.4 1.0 CD B:PRO302 3.8 24.3 1.0 CZ3 B:TRP312 3.8 23.1 1.0 CB B:LEU303 3.9 22.7 1.0 CG B:ARG363 3.9 21.1 1.0 CE2 B:TYR318 3.9 20.2 1.0 N B:PRO302 3.9 24.3 1.0 CB B:PRO302 3.9 24.3 1.0 CA B:LEU303 4.0 23.1 1.0 NH1 B:ARG363 4.0 20.5 1.0 CB B:ASP301 4.1 24.8 1.0 CG B:PRO302 4.1 24.2 1.0 C B:LEU303 4.2 23.6 1.0 C B:PRO302 4.2 24.0 1.0 NE B:ARG363 4.3 21.3 1.0 CA B:PRO302 4.3 24.4 1.0 CD B:ARG313 4.3 22.6 1.0 CB B:ARG363 4.4 21.1 1.0 CZ B:TYR318 4.5 20.7 1.0 OH B:TYR318 4.5 21.4 1.0 CG B:ARG313 4.5 22.7 1.0 CZ B:ARG363 4.6 21.0 1.0 CD2 B:TYR318 4.6 20.2 1.0 C B:ASP301 4.6 24.0 1.0 CZ2 B:TRP312 4.7 22.7 1.0 CA B:ASP301 4.8 24.3 1.0 CG B:ASP301 4.9 25.3 1.0 OD1 B:ASP301 4.9 26.6 1.0 NH1 B:ARG313 4.9 23.4 1.0

N.Maita, T.Tsukimura, T.Taniguchi, S.Saito, K.Ohno, H.Taniguchi, H.Sakuraba. Human Alpha-L-Iduronidase Uses Its Own N-Glycan As A Substrate-Binding and Catalytic Module Proc.Natl.Acad.Sci.Usa V. 110 14628 2013.
ISSN: ISSN 0027-8424
PubMed: 23959878
DOI: 10.1073/PNAS.1306939110