Chlorine in PDB 3n0a: Crystal Structure of Auxilin (40-400)

All present enzymatic activity of Crystal Structure of Auxilin (40-400):
3.1.3.48;

The structure of Crystal Structure of Auxilin (40-400), PDB code: 3n0a was solved by S.C.Harrison, R.Guan, H.Dai, T.Kirchhausen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.90 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.925, 137.925, 51.327, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 20

The structure of Crystal Structure of Auxilin (40-400) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Auxilin (40-400) (pdb code 3n0a). 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 Auxilin (40-400), PDB code: 3n0a:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Auxilin (40-400)


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 Auxilin (40-400) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:42.3 occ:1.00 NH1 A:ARG275 3.1 32.8 1.0 O A:HOH659 3.1 63.3 1.0 NH2 A:ARG275 3.5 59.8 1.0 C A:CYS248 3.5 30.2 1.0 ND2 A:ASN242 3.6 30.8 1.0 CB A:ASN242 3.6 30.9 1.0 O A:CYS248 3.7 27.1 1.0 CZ A:ARG275 3.7 54.2 1.0 N A:ARG249 3.8 27.4 1.0 CA A:CYS248 3.9 28.4 1.0 CB A:ARG249 3.9 29.5 1.0 NH1 A:ARG249 3.9 35.7 1.0 NH2 A:ARG249 3.9 46.4 1.0 CE1 A:HIS299 3.9 28.3 1.0 CZ A:ARG249 4.0 44.0 1.0 N A:CYS248 4.1 27.4 1.0 CG A:ASN242 4.1 34.0 1.0 CG A:GLU273 4.1 45.6 1.0 CB A:GLU273 4.2 34.6 1.0 CA A:ARG249 4.4 26.9 1.0 CD A:GLU273 4.5 53.8 1.0 C A:GLY247 4.6 30.8 1.0 NE A:ARG249 4.6 35.0 1.0 OE1 A:GLU273 4.8 54.6 1.0 ND1 A:HIS299 4.8 30.6 1.0 CA A:ASN242 4.8 34.1 1.0 CA A:GLU273 4.8 35.4 1.0 O A:GLY247 4.8 31.2 1.0 NE2 A:HIS299 4.9 30.7 1.0 OE2 A:GLU273 5.0 55.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Auxilin (40-400)


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 Auxilin (40-400) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:52.4 occ:1.00 O A:HOH648 3.1 42.3 1.0 NE2 A:HIS299 3.1 30.7 1.0 CG A:ARG301 3.7 62.6 1.0 CA A:ASN242 3.7 34.1 1.0 O A:HOH659 3.7 63.3 1.0 O A:HOH609 3.8 62.8 1.0 CE1 A:HIS299 3.8 28.3 1.0 CB A:ASN242 3.9 30.9 1.0 N A:LYS243 3.9 41.5 1.0 CD A:ARG301 3.9 74.7 1.0 NH1 A:ARG249 4.1 35.7 1.0 CB A:ARG301 4.1 51.5 1.0 CD2 A:HIS299 4.2 34.4 1.0 C A:ASN242 4.2 36.8 1.0 NE A:ARG301 4.2 87.5 1.0 CE A:LYS243 4.3 77.5 1.0 CD A:LYS243 4.3 73.1 1.0 CG A:LYS243 4.4 66.7 1.0 CA A:ARG301 4.5 44.6 1.0 O A:PHE241 4.6 34.1 1.0 O A:LEU300 4.7 33.3 1.0 NZ A:LYS243 4.8 78.7 1.0 N A:ASN242 4.8 32.9 1.0 CA A:LYS243 4.9 49.9 1.0 CB A:LYS243 4.9 56.5 1.0

R.Guan, D.Han, S.C.Harrison, T.Kirchhausen. Structure of the Pten-Like Region of Auxilin, A Detector of Clathrin-Coated Vesicle Budding. Structure V. 18 1191 2010.
ISSN: ISSN 0969-2126
PubMed: 20826345
DOI: 10.1016/J.STR.2010.06.016