Chlorine in PDB 4ap6: Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose

All present enzymatic activity of Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose:
2.4.1.221;

The structure of Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose, PDB code: 4ap6 was solved by C.Chen, J.J.Keusch, D.Klein, D.Hess, J.Hofsteenge, H.Gut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.686 / 3.401
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.010, 153.010, 185.680, 90.00, 90.00, 120.00
R / Rfree (%)	19.24 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose (pdb code 4ap6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose, PDB code: 4ap6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose


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 POFUT2 E54A Mutant in Complex with Gdp- Fucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1432 b:75.7 occ:1.00 NE A:ARG59 3.6 71.3 1.0 CD A:ARG88 3.8 93.6 1.0 CA A:PHE56 3.8 74.5 1.0 N A:PHE56 4.0 75.3 1.0 CD A:ARG59 4.1 68.4 1.0 CE3 A:TRP86 4.1 71.0 1.0 CB A:PHE56 4.1 66.0 1.0 CD1 A:PHE56 4.4 65.1 1.0 CG A:ARG88 4.4 97.1 1.0 CZ3 A:TRP86 4.5 68.8 1.0 CZ A:ARG59 4.5 71.7 1.0 C A:GLY55 4.6 0.3 1.0 NH2 A:ARG59 4.6 74.2 1.0 NE A:ARG88 4.6 91.7 1.0 N A:GLY87 4.7 88.9 1.0 CG A:PHE56 4.8 65.2 1.0 CG A:ARG59 4.8 66.5 1.0 CB A:ARG88 4.8 94.7 1.0 NH1 A:ARG88 4.8 89.3 1.0 O A:ALA54 4.9 65.0 1.0 O A:HOH2006 4.9 42.4 1.0 O A:GLY55 5.0 0.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose


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 POFUT2 E54A Mutant in Complex with Gdp- Fucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1434 b:55.3 occ:1.00 NE B:ARG59 3.5 63.5 1.0 CA B:PHE56 3.8 45.0 1.0 CD B:ARG88 3.9 86.0 1.0 N B:PHE56 4.0 46.1 1.0 CE3 B:TRP86 4.0 51.3 1.0 CB B:PHE56 4.1 46.8 1.0 CD B:ARG59 4.1 63.5 1.0 CD1 B:PHE56 4.3 44.9 1.0 CZ3 B:TRP86 4.4 52.1 1.0 CG B:ARG88 4.5 84.9 1.0 CZ B:ARG59 4.5 62.4 1.0 NH2 B:ARG59 4.6 62.5 1.0 C B:GLY55 4.6 69.8 1.0 N B:GLY87 4.6 78.6 1.0 NE B:ARG88 4.7 85.3 1.0 O B:HOH2001 4.7 7.7 1.0 CG B:PHE56 4.7 46.2 1.0 O B:ALA54 4.8 45.2 1.0 CG B:ARG59 4.8 66.1 1.0 CB B:ARG88 4.9 83.2 1.0 NH1 B:ARG88 4.9 87.8 1.0 O B:GLY55 4.9 69.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1433 b:61.7 occ:1.00 NE C:ARG59 3.2 78.3 1.0 CD C:ARG88 3.5 87.1 1.0 CD C:ARG59 4.0 75.3 1.0 CZ C:ARG59 4.1 78.0 1.0 NH2 C:ARG59 4.1 80.6 1.0 N C:PHE56 4.1 75.6 1.0 CA C:PHE56 4.1 72.6 1.0 CG C:ARG88 4.2 82.8 1.0 NE C:ARG88 4.2 88.3 1.0 CE3 C:TRP86 4.4 72.1 1.0 CB C:ARG88 4.4 79.9 1.0 O C:ALA54 4.4 72.2 1.0 NH1 C:ARG88 4.5 96.1 1.0 CB C:PHE56 4.5 68.5 1.0 C C:GLY55 4.6 97.2 1.0 N C:GLY87 4.6 99.0 1.0 CG C:ARG59 4.7 79.3 1.0 CZ C:ARG88 4.7 92.5 1.0 CZ3 C:TRP86 4.8 73.9 1.0 C C:GLY87 4.9 99.9 1.0 CD1 C:PHE56 4.9 65.0 1.0 O C:GLY55 4.9 94.0 1.0 O C:GLY87 4.9 97.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human POFUT2 E54A Mutant in Complex with Gdp- Fucose within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1431 b:85.9 occ:1.00 NE D:ARG59 3.5 0.1 1.0 CD D:ARG88 3.5 0.4 1.0 CA D:PHE56 4.0 0.9 1.0 N D:PHE56 4.0 0.4 1.0 CG D:ARG88 4.2 0.9 1.0 CD D:ARG59 4.2 0.7 1.0 CB D:PHE56 4.3 0.6 1.0 NE D:ARG88 4.3 0.5 1.0 NH2 D:ARG59 4.4 96.5 1.0 CZ D:ARG59 4.4 98.5 1.0 CE3 D:TRP86 4.4 0.3 1.0 NH1 D:ARG88 4.5 0.7 1.0 CB D:ARG88 4.5 0.2 1.0 O D:ALA54 4.6 0.9 1.0 C D:GLY55 4.6 0.6 1.0 CD1 D:PHE56 4.7 0.9 1.0 N D:GLY87 4.7 0.4 1.0 CZ3 D:TRP86 4.8 0.2 1.0 CZ D:ARG88 4.8 0.3 1.0 CG D:ARG59 4.9 0.4 1.0 O D:GLY55 5.0 0.6 1.0

C.I.Chen, J.J.Keusch, D.Klein, D.Hess, J.Hofsteenge, H.Gut. Structure of Human POFUT2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation. Embo J. V. 31 3183 2012.
ISSN: ISSN 0261-4189
PubMed: 22588082
DOI: 10.1038/EMBOJ.2012.143