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Chlorine in PDB 4kh2: Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride

Enzymatic activity of Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride

All present enzymatic activity of Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride:
3.2.1.76;

Protein crystallography data

The structure of Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride, PDB code: 4kh2 was solved by H.Bie, J.Yin, X.He, A.R.Kermode, E.D.Goddard-Borger, S.G.Withers, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.72 / 2.36
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 258.839, 258.839, 71.362, 90.00, 90.00, 120.00
R / Rfree (%) 22 / 26.1

Other elements in 4kh2:

The structure of Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride (pdb code 4kh2). 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 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride, PDB code: 4kh2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4kh2

Go back to Chlorine Binding Sites List in 4kh2
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride


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 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl912

b:33.7
occ:1.00
 NH2 A:ARG313 2.8 33.3 1.0
NE A:ARG363 3.1 22.4 1.0
O A:LEU303 3.1 27.5 1.0
NE A:ARG313 3.1 32.6 1.0
N A:LEU303 3.3 27.6 1.0
CZ A:ARG313 3.4 32.7 1.0
CG A:ARG363 3.6 23.8 1.0
CD A:ARG363 3.7 22.7 1.0
CD A:PRO302 3.8 28.5 1.0
CH2 A:TRP312 3.9 26.6 1.0
C A:LEU303 3.9 27.5 1.0
CA A:LEU303 3.9 27.2 1.0
N A:PRO302 3.9 28.8 1.0
CB A:PRO302 4.0 28.1 1.0
CB A:ASP301 4.0 30.2 1.0
CB A:LEU303 4.1 27.2 1.0
CZ A:ARG363 4.1 21.9 1.0
NH1 A:ARG363 4.2 22.3 1.0
CG A:PRO302 4.2 28.4 1.0
C A:PRO302 4.2 27.8 1.0
CZ3 A:TRP312 4.3 26.2 1.0
CB A:ARG363 4.3 24.8 1.0
CA A:PRO302 4.3 28.2 1.0
CD A:ARG313 4.4 31.5 1.0
C A:ASP301 4.5 30.0 1.0
CE1 A:TYR318 4.6 30.9 1.0
NH1 A:ARG313 4.6 32.7 1.0
CG A:ARG313 4.7 30.8 1.0
CA A:ASP301 4.7 30.2 1.0
OH A:TYR318 4.8 30.1 1.0
CG A:ASP301 4.9 30.6 1.0
CZ2 A:TRP312 4.9 26.6 1.0
CZ A:TYR318 5.0 30.4 1.0

Chlorine binding site 2 out of 2 in 4kh2

Go back to Chlorine Binding Sites List in 4kh2
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Alpha-L-Iduronidase Complex with 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride


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 2-Deoxy-2- Fluoro-Alpha-L-Idopyranosyluronic Acid Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl920

b:34.8
occ:1.00
 NE B:ARG363 3.2 26.4 1.0
NH2 B:ARG313 3.2 26.1 1.0
N B:LEU303 3.3 28.6 1.0
O B:LEU303 3.3 28.4 1.0
CD B:PRO302 3.4 30.5 1.0
NE B:ARG313 3.4 25.5 1.0
CG B:ARG363 3.5 25.9 1.0
CD B:ARG363 3.7 26.1 1.0
N B:PRO302 3.8 30.9 1.0
CZ B:ARG313 3.8 25.4 1.0
CH2 B:TRP312 3.8 29.9 1.0
CB B:PRO302 3.8 29.9 1.0
CG B:PRO302 3.9 30.3 1.0
CB B:ASP301 4.0 31.2 1.0
CA B:LEU303 4.0 28.6 1.0
C B:LEU303 4.1 28.6 1.0
CA B:PRO302 4.2 30.1 1.0
CB B:LEU303 4.2 28.4 1.0
C B:PRO302 4.2 29.6 1.0
CZ B:ARG363 4.2 27.1 1.0
CZ3 B:TRP312 4.2 29.7 1.0
CE1 B:TYR318 4.3 24.7 1.0
O B:HOH1124 4.3 28.0 1.0
CB B:ARG363 4.3 26.4 1.0
NH2 B:ARG363 4.4 27.2 1.0
C B:ASP301 4.5 31.2 1.0
CD B:ARG313 4.6 26.4 1.0
CA B:ASP301 4.6 30.9 1.0
CZ B:TYR318 4.8 24.8 1.0
CD1 B:TYR318 4.8 24.9 1.0
CZ2 B:TRP312 4.8 29.5 1.0
CG B:ARG313 4.8 26.8 1.0
OH B:TYR318 4.9 24.9 1.0
CG B:ASP301 4.9 31.1 1.0

Reference:

H.Bie, J.Yin, X.He, A.R.Kermode, E.D.Goddard-Borger, S.G.Withers, M.N.James. Insights Into Mucopolysaccharidosis I From the Structure and Action of Alpha-L-Iduronidase. Nat.Chem.Biol. V. 9 739 2013.
ISSN: ISSN 1552-4450
PubMed: 24036510
DOI: 10.1038/NCHEMBIO.1357
Page generated: Fri Jul 11 17:45:50 2025

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