Atomistry » Fluorine » PDB 4kbk-4l3l » 4kh2
Atomistry »
  Fluorine »
    PDB 4kbk-4l3l »
      4kh2 »

Fluorine 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:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 2 binding sites of Fluorine 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 Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4kh2

Go back to Fluorine Binding Sites List in 4kh2
Fluorine 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 Fluorine with other atoms in the F 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:F911

b:43.7
occ:1.00
 F2 A:FIF911 0.0 43.7 1.0
C2 A:FIF911 1.4 44.6 1.0
C1 A:FIF911 2.4 44.9 1.0
C3 A:FIF911 2.4 44.1 1.0
OE2 A:GLU299 2.8 43.5 1.0
ND2 A:ASN181 2.9 31.0 1.0
O3 A:FIF911 3.0 42.1 1.0
NE2 A:HIS91 3.1 31.2 1.0
CE1 A:HIS91 3.4 30.8 1.0
CG A:ASN181 3.6 32.1 1.0
OD1 A:ASN181 3.6 31.9 1.0
CD A:GLU299 3.6 42.7 1.0
O5 A:FIF911 3.7 46.0 1.0
C4 A:FIF911 3.7 45.5 1.0
OE2 A:GLU182 3.9 35.4 1.0
OE1 A:GLU299 4.1 43.2 1.0
C5 A:FIF911 4.1 45.9 1.0
OD2 A:ASP349 4.1 29.4 1.0
NH1 A:ARG89 4.1 25.1 1.0
O4 A:FIF911 4.3 44.6 1.0
CD A:GLU182 4.3 36.1 1.0
NE2 A:HIS262 4.4 26.4 1.0
CD2 A:HIS91 4.4 30.2 1.0
CG A:GLU299 4.5 38.4 1.0
ND1 A:HIS91 4.6 31.1 1.0
CD2 A:HIS262 4.6 26.8 1.0
O A:HOH1058 4.7 16.3 1.0
OE1 A:GLU182 4.8 36.4 1.0
CG A:GLU182 4.9 34.7 1.0
CB A:ASN181 4.9 31.8 1.0

Fluorine binding site 2 out of 2 in 4kh2

Go back to Fluorine Binding Sites List in 4kh2
Fluorine 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 Fluorine with other atoms in the F 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:F919

b:47.7
occ:1.00
 F2 B:FIF919 0.0 47.7 1.0
C2 B:FIF919 1.4 46.8 1.0
C3 B:FIF919 2.4 46.7 1.0
C1 B:FIF919 2.4 46.1 1.0
O3 B:FIF919 2.9 47.4 1.0
OE2 B:GLU299 2.9 44.0 1.0
ND2 B:ASN181 2.9 28.7 1.0
NE2 B:HIS91 3.2 29.0 1.0
OD1 B:ASN181 3.4 29.2 1.0
CG B:ASN181 3.5 29.2 1.0
O5 B:FIF919 3.7 46.6 1.0
CE1 B:HIS91 3.7 29.8 1.0
C4 B:FIF919 3.7 46.9 1.0
CD B:GLU299 3.9 41.8 1.0
C5 B:FIF919 4.0 46.6 1.0
OE2 B:GLU182 4.1 38.6 1.0
CD B:GLU182 4.2 36.7 1.0
O B:HOH1119 4.2 24.7 1.0
OD2 B:ASP349 4.4 27.6 1.0
CD2 B:HIS91 4.4 28.5 1.0
OE1 B:GLU182 4.4 37.4 1.0
O4 B:FIF919 4.5 46.8 1.0
OE1 B:GLU299 4.5 42.9 1.0
NH1 B:ARG89 4.5 30.3 1.0
CG B:GLU182 4.6 35.4 1.0
NE2 B:HIS262 4.6 32.3 1.0
CD2 B:HIS262 4.8 31.8 1.0
CB B:ASN181 4.8 28.3 1.0
CG B:GLU299 4.9 39.1 1.0
O3 B:MAN910 4.9 62.4 1.0
ND1 B:HIS91 5.0 29.1 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: Thu Aug 1 03:12:41 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy