Chlorine in PDB 3w81: Human Alpha-L-Iduronidase

All present enzymatic activity of Human Alpha-L-Iduronidase:
3.2.1.76;

The structure of Human Alpha-L-Iduronidase, PDB code: 3w81 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)	36.56 / 2.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	259.225, 259.225, 71.835, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 21

The binding sites of Chlorine atom in the Human Alpha-L-Iduronidase (pdb code 3w81). 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, PDB code: 3w81:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Alpha-L-Iduronidase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl719 b:24.8 occ:1.00 CD A:ARG363 2.8 28.8 1.0 NH2 A:ARG313 3.2 24.0 1.0 N A:LEU303 3.3 23.5 1.0 O A:LEU303 3.4 25.0 1.0 CD A:PRO302 3.4 23.1 1.0 NE A:ARG313 3.5 22.1 1.0 CG A:ARG363 3.7 27.7 1.0 CH2 A:TRP312 3.7 29.9 1.0 N A:PRO302 3.8 23.1 1.0 CB A:PRO302 3.8 23.5 1.0 CZ A:ARG313 3.8 22.7 1.0 CA A:LEU303 4.0 25.5 1.0 CB A:ASP301 4.0 24.1 1.0 NE A:ARG363 4.1 32.5 1.0 CG A:PRO302 4.1 22.6 1.0 NH1 A:ARG363 4.1 32.0 1.0 CZ3 A:TRP312 4.1 28.3 1.0 C A:LEU303 4.1 24.2 1.0 CA A:PRO302 4.1 24.0 1.0 C A:PRO302 4.2 24.0 1.0 CB A:LEU303 4.2 24.2 1.0 CB A:ARG363 4.3 24.4 1.0 CE2 A:TYR318 4.3 19.1 1.0 O A:HOH811 4.3 17.9 1.0 C A:ASP301 4.5 23.4 1.0 CZ A:ARG363 4.5 33.7 1.0 CZ A:TYR318 4.6 19.3 1.0 OH A:TYR318 4.6 19.6 1.0 CA A:ASP301 4.7 22.9 1.0 CD A:ARG313 4.7 22.8 1.0 CG A:ARG313 4.8 21.8 1.0 CZ2 A:TRP312 4.8 27.2 1.0 CD2 A:TYR318 4.9 19.7 1.0 CG A:ASP301 5.0 23.5 1.0

Chlorine binding site 2 out of 2 in the Human Alpha-L-Iduronidase


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl727 b:24.6 occ:1.00 CD B:ARG363 3.0 26.7 1.0 NH2 B:ARG313 3.0 23.3 1.0 N B:LEU303 3.3 22.4 1.0 NE B:ARG313 3.4 24.7 1.0 O B:LEU303 3.5 25.6 1.0 CH2 B:TRP312 3.6 21.0 1.0 CD B:PRO302 3.6 21.0 1.0 CZ B:ARG313 3.6 25.1 1.0 CG B:ARG363 3.8 25.7 1.0 CB B:PRO302 3.8 20.7 1.0 N B:PRO302 3.8 21.4 1.0 CB B:ASP301 3.9 21.6 1.0 NH1 B:ARG363 4.0 23.1 1.0 CG B:PRO302 4.0 21.0 1.0 CA B:LEU303 4.1 24.7 1.0 CB B:LEU303 4.1 25.0 1.0 CZ3 B:TRP312 4.1 22.0 1.0 NE B:ARG363 4.2 27.4 1.0 C B:PRO302 4.2 21.4 1.0 CA B:PRO302 4.2 21.2 1.0 C B:LEU303 4.2 25.5 1.0 O B:HOH818 4.3 19.8 1.0 CB B:ARG363 4.4 25.2 1.0 CE2 B:TYR318 4.4 21.1 1.0 C B:ASP301 4.5 22.5 1.0 CZ B:ARG363 4.5 25.4 1.0 CD B:ARG313 4.6 25.0 1.0 CZ2 B:TRP312 4.7 21.3 1.0 OH B:TYR318 4.7 22.3 1.0 CZ B:TYR318 4.7 22.0 1.0 CA B:ASP301 4.7 22.7 1.0 CG B:ARG313 4.8 25.9 1.0 NH1 B:ARG313 4.9 24.9 1.0 CG B:ASP301 5.0 22.5 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