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Chlorine in PDB 4kgj: Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride

Enzymatic activity of Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride

All present enzymatic activity of Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-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 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride, PDB code: 4kgj 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) 38.05 / 2.99
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 259.343, 259.343, 71.379, 90.00, 90.00, 120.00
R / Rfree (%) 17.8 / 22.7

Other elements in 4kgj:

The structure of Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride (pdb code 4kgj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride, PDB code: 4kgj:

Chlorine binding site 1 out of 1 in 4kgj

Go back to Chlorine Binding Sites List in 4kgj
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Alpha-L-Iduronidase Complex with 5-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 5-Fluoro- Alpha-L-Idopyranosyluronic Acid Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl921

b:33.4
occ:1.00
 NE B:ARG363 3.0 29.8 1.0
O B:LEU303 3.2 29.4 1.0
N B:LEU303 3.3 27.5 1.0
NH2 B:ARG313 3.4 31.0 1.0
CD B:PRO302 3.5 29.4 1.0
CG B:ARG363 3.6 27.8 1.0
NE B:ARG313 3.6 30.9 1.0
CD B:ARG363 3.8 28.8 1.0
N B:PRO302 3.8 30.2 1.0
CB B:PRO302 3.8 29.0 1.0
CZ B:ARG313 3.9 30.9 1.0
CB B:ASP301 3.9 32.8 1.0
CG B:PRO302 4.0 28.8 1.0
CZ B:ARG363 4.0 30.7 1.0
C B:LEU303 4.0 28.4 1.0
CA B:LEU303 4.0 27.7 1.0
NH1 B:ARG363 4.0 31.3 1.0
CH2 B:TRP312 4.1 33.8 1.0
CA B:PRO302 4.2 29.3 1.0
C B:PRO302 4.2 28.4 1.0
CB B:ARG363 4.2 28.2 1.0
CB B:LEU303 4.2 27.1 1.0
CE1 B:TYR318 4.3 28.0 1.0
C B:ASP301 4.4 31.2 1.0
OH B:TYR318 4.5 28.6 1.0
CZ3 B:TRP312 4.5 32.4 1.0
CZ B:TYR318 4.6 28.6 1.0
CA B:ASP301 4.6 32.0 1.0
CG B:ASP301 4.7 33.2 1.0
CD B:ARG313 4.8 31.2 1.0
OD1 B:ASP301 4.8 33.0 1.0
CD1 B:TYR318 5.0 26.6 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: Sat Dec 12 10:50:25 2020

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