Arsenic in PDB 4wp2: Chaetomium MEX67 Uba Domain

The structure of Chaetomium MEX67 Uba Domain, PDB code: 4wp2 was solved by S.Aibara, M.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.53 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.903, 95.903, 74.967, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24

The binding sites of Arsenic atom in the Chaetomium MEX67 Uba Domain (pdb code 4wp2). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the Chaetomium MEX67 Uba Domain, PDB code: 4wp2:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Arsenic binding site 1 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:As623 b:31.0 occ:1.00 AS A:CAS623 0.0 31.0 1.0 CE2 A:CAS623 1.9 32.4 1.0 CE1 A:CAS623 2.0 39.7 1.0 SG A:CAS623 2.3 28.2 1.0 HE21 A:CAS623 2.4 38.9 1.0 HE22 A:CAS623 2.4 38.9 1.0 HE23 A:CAS623 2.4 38.9 1.0 HE11 A:CAS623 2.5 47.6 1.0 HE13 A:CAS623 2.5 47.6 1.0 HE12 A:CAS623 2.5 47.6 1.0 HA A:CAS623 2.8 23.7 1.0 CA A:CAS623 3.3 19.8 1.0 CB A:CAS623 3.4 19.9 1.0 N A:CAS623 3.4 19.8 1.0 H A:CAS623 3.6 23.7 1.0 HB3 A:MET622 3.8 24.1 1.0 HB2 A:MET622 3.8 24.1 1.0 C A:MET622 3.9 21.3 1.0 HB2 A:CAS623 3.9 23.9 1.0 O A:HOH721 3.9 34.6 1.0 HB3 A:CAS623 4.1 23.9 1.0 CB A:MET622 4.2 20.1 1.0 HE1 A:MET615 4.2 32.3 1.0 O A:MET622 4.2 19.8 1.0 O A:TYR619 4.3 20.3 1.0 HA A:PHE639 4.4 28.0 1.0 HB3 A:SER638 4.7 36.9 1.0 CA A:MET622 4.7 20.4 1.0 HB2 A:SER638 4.7 36.9 1.0 OE1 A:GLN642 4.8 53.3 1.0 C A:CAS623 4.8 23.0 1.0 HD1 A:PHE639 4.8 33.3 1.0 HB2 A:PHE639 4.8 30.8 1.0 HB2 A:GLN642 4.9 46.2 1.0 HG22 A:VAL646 5.0 40.8 1.0

Arsenic binding site 2 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:As623 b:40.8 occ:1.00 AS B:CAS623 0.0 40.8 1.0 CE2 B:CAS623 1.9 43.8 1.0 CE1 B:CAS623 1.9 30.4 1.0 SG B:CAS623 2.3 32.4 1.0 HE21 B:CAS623 2.4 52.5 1.0 HE22 B:CAS623 2.4 52.5 1.0 HE23 B:CAS623 2.4 52.5 1.0 HE11 B:CAS623 2.4 36.5 1.0 HE13 B:CAS623 2.5 36.5 1.0 HE12 B:CAS623 2.5 36.5 1.0 HA B:CAS623 2.9 30.9 1.0 HA2 C:GLY626 3.2 25.0 1.0 CB B:CAS623 3.4 30.7 1.0 CA B:CAS623 3.5 25.7 1.0 HB2 B:CAS623 3.6 36.8 1.0 N B:CAS623 3.9 21.5 1.0 H C:GLY626 4.0 25.9 1.0 H B:CAS623 4.1 25.8 1.0 OE1 B:GLN642 4.1 37.9 1.0 CA C:GLY626 4.1 20.8 1.0 HA B:PHE639 4.1 44.1 1.0 HB3 B:CAS623 4.2 36.8 1.0 HE1 B:MET615 4.3 40.2 1.0 HB3 B:SER638 4.3 36.3 1.0 N C:GLY626 4.3 21.6 1.0 O B:HOH715 4.4 26.5 1.0 HB2 B:SER638 4.4 36.3 1.0 C B:MET622 4.4 22.3 1.0 HB2 B:MET622 4.4 36.9 1.0 HB3 B:MET622 4.5 36.9 1.0 O B:TYR619 4.6 30.6 1.0 HA3 C:GLY626 4.6 25.0 1.0 HB2 B:PHE639 4.6 39.2 1.0 CD B:GLN642 4.7 34.9 1.0 O B:MET622 4.7 22.6 1.0 O B:HOH719 4.7 46.6 1.0 HE22 B:GLN642 4.7 35.5 1.0 HB2 B:GLN642 4.7 49.5 1.0 N B:PHE639 4.8 30.2 1.0 CB B:SER638 4.8 30.3 1.0 CA B:PHE639 4.9 36.8 1.0 CB B:MET622 4.9 30.8 1.0 C B:CAS623 4.9 23.9 1.0 C B:SER638 4.9 31.0 1.0 HB C:THR625 4.9 21.4 1.0 HD1 B:PHE639 5.0 41.8 1.0 NE2 B:GLN642 5.0 29.6 1.0 O B:SER638 5.0 35.5 1.0

Arsenic binding site 3 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:As623 b:34.1 occ:1.00 AS C:CAS623 0.0 34.1 1.0 CE2 C:CAS623 1.9 35.1 1.0 CE1 C:CAS623 1.9 35.9 1.0 SG C:CAS623 2.3 31.7 1.0 HE21 C:CAS623 2.4 42.1 1.0 HE22 C:CAS623 2.4 42.1 1.0 HE11 C:CAS623 2.4 43.1 1.0 HE23 C:CAS623 2.4 42.1 1.0 HE13 C:CAS623 2.5 43.1 1.0 HE12 C:CAS623 2.5 43.1 1.0 HA C:CAS623 2.8 25.2 1.0 HA2 B:GLY626 3.1 26.4 1.0 CA C:CAS623 3.3 21.0 1.0 CB C:CAS623 3.4 22.7 1.0 N C:CAS623 3.4 21.1 1.0 H C:CAS623 3.5 25.3 1.0 H B:GLY626 3.6 23.6 1.0 HB3 C:MET622 3.8 25.1 1.0 HB2 C:MET622 3.9 25.1 1.0 CA B:GLY626 3.9 22.0 1.0 C C:MET622 3.9 19.3 1.0 O C:HOH710 4.0 38.2 1.0 HB2 C:CAS623 4.0 27.2 1.0 N B:GLY626 4.0 19.6 1.0 HB3 C:CAS623 4.0 27.2 1.0 CB C:MET622 4.2 20.9 1.0 HE1 C:MET615 4.3 37.7 1.0 O C:TYR619 4.3 21.6 1.0 HA3 B:GLY626 4.3 26.4 1.0 O C:MET622 4.3 20.5 1.0 HB B:THR625 4.4 23.7 1.0 HA C:PHE639 4.4 38.2 1.0 HB3 C:SER638 4.6 48.6 1.0 HB2 C:SER638 4.7 48.6 1.0 CA C:MET622 4.7 21.6 1.0 OE1 C:GLN642 4.8 62.2 1.0 C C:CAS623 4.8 21.6 1.0 HD1 C:PHE639 4.8 36.6 1.0 HB2 C:PHE639 4.9 35.1 1.0 HB2 C:GLN642 5.0 74.2 1.0 C B:GLY626 5.0 26.9 1.0

Arsenic binding site 4 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:As623 b:32.6 occ:1.00 AS D:CAS623 0.0 32.6 1.0 CE2 D:CAS623 1.9 69.4 1.0 CE1 D:CAS623 1.9 20.8 1.0 SG D:CAS623 2.3 25.9 1.0 HE21 D:CAS623 2.4 83.3 1.0 HE22 D:CAS623 2.4 83.3 1.0 HE23 D:CAS623 2.4 83.3 1.0 HE11 D:CAS623 2.4 24.9 1.0 HE13 D:CAS623 2.5 24.9 1.0 HE12 D:CAS623 2.5 24.9 1.0 HA D:CAS623 3.0 23.9 1.0 HA2 E:GLY626 3.1 20.9 1.0 CB D:CAS623 3.3 23.7 1.0 HB2 D:CAS623 3.5 28.5 1.0 CA D:CAS623 3.5 19.9 1.0 OE1 D:GLN642 3.8 30.0 1.0 HA D:PHE639 3.9 33.9 1.0 N D:CAS623 4.0 18.9 1.0 CA E:GLY626 4.1 17.4 1.0 H D:CAS623 4.2 22.7 1.0 HB3 D:CAS623 4.2 28.5 1.0 H E:GLY626 4.2 20.8 1.0 HE1 D:MET615 4.2 38.8 1.0 HB2 D:SER638 4.2 27.8 1.0 HB3 D:SER638 4.3 27.8 1.0 HB2 D:PHE639 4.3 32.3 1.0 O D:HOH719 4.4 25.0 1.0 CD D:GLN642 4.4 27.5 1.0 HE22 D:GLN642 4.5 23.5 1.0 N D:PHE639 4.5 23.4 1.0 N E:GLY626 4.5 17.3 1.0 HA3 E:GLY626 4.6 20.9 1.0 CA D:PHE639 4.6 28.2 1.0 HB2 D:GLN642 4.6 32.0 1.0 H D:PHE639 4.7 28.1 1.0 C D:SER638 4.7 22.0 1.0 HD1 D:PHE639 4.7 42.6 1.0 CB D:SER638 4.7 23.1 1.0 C D:MET622 4.7 20.6 1.0 NE2 D:GLN642 4.7 19.6 1.0 O D:SER638 4.8 23.9 1.0 O D:TYR619 4.8 22.1 1.0 O D:HOH711 4.8 32.1 1.0 HB2 D:MET622 4.9 24.5 1.0 C D:CAS623 4.9 17.8 1.0 C E:GLY626 4.9 17.7 1.0 HB3 D:MET622 5.0 24.5 1.0 CB D:PHE639 5.0 26.9 1.0

Arsenic binding site 5 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ E:As623 b:28.8 occ:1.00 AS E:CAS623 0.0 28.8 1.0 CE2 E:CAS623 1.9 42.7 1.0 CE1 E:CAS623 1.9 19.6 1.0 SG E:CAS623 2.3 26.3 1.0 HE21 E:CAS623 2.4 51.2 1.0 HE22 E:CAS623 2.4 51.2 1.0 HE11 E:CAS623 2.4 23.5 1.0 HE23 E:CAS623 2.4 51.2 1.0 HE13 E:CAS623 2.5 23.5 1.0 HE12 E:CAS623 2.5 23.5 1.0 HA E:CAS623 2.9 22.3 1.0 HA2 D:GLY626 3.0 22.3 1.0 CB E:CAS623 3.3 22.7 1.0 CA E:CAS623 3.4 18.6 1.0 HB2 E:CAS623 3.6 27.3 1.0 OE1 E:GLN642 3.8 33.3 1.0 N E:CAS623 3.8 18.4 1.0 H E:CAS623 3.9 22.1 1.0 CA D:GLY626 3.9 18.6 1.0 HB3 E:SER638 4.0 32.5 1.0 HB2 E:SER638 4.0 32.5 1.0 HA E:PHE639 4.1 28.2 1.0 HE1 E:MET615 4.1 32.0 1.0 H D:GLY626 4.2 22.8 1.0 HB3 E:CAS623 4.2 27.3 1.0 HA3 D:GLY626 4.4 22.3 1.0 O D:HOH718 4.4 25.1 1.0 CD E:GLN642 4.4 36.5 1.0 N D:GLY626 4.4 19.0 1.0 CB E:SER638 4.5 27.1 1.0 C E:MET622 4.5 20.5 1.0 HB2 E:PHE639 4.5 26.9 1.0 HB2 E:GLN642 4.5 38.2 1.0 HB3 E:MET622 4.5 22.2 1.0 HE22 E:GLN642 4.5 29.6 1.0 HB2 E:MET622 4.6 22.2 1.0 N E:PHE639 4.6 26.8 1.0 O E:TYR619 4.6 20.6 1.0 C E:SER638 4.7 20.9 1.0 CA E:PHE639 4.8 23.5 1.0 O E:SER638 4.8 22.1 1.0 NE2 E:GLN642 4.8 24.6 1.0 C D:GLY626 4.8 17.9 1.0 H E:PHE639 4.8 32.1 1.0 O E:MET622 4.8 18.6 1.0 C E:CAS623 4.8 18.2 1.0 HD1 E:PHE639 4.9 31.5 1.0 CB E:MET622 5.0 18.5 1.0

Arsenic binding site 6 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ F:As623 b:37.8 occ:1.00 AS F:CAS623 0.0 37.8 1.0 CE2 F:CAS623 1.9 56.8 1.0 CE1 F:CAS623 1.9 41.3 1.0 SG F:CAS623 2.3 32.1 1.0 HE21 F:CAS623 2.4 68.2 1.0 HE22 F:CAS623 2.4 68.2 1.0 HE23 F:CAS623 2.4 68.2 1.0 HE11 F:CAS623 2.4 49.5 1.0 HE13 F:CAS623 2.5 49.5 1.0 HE12 F:CAS623 2.5 49.5 1.0 HA F:CAS623 2.9 30.8 1.0 HA2 G:GLY626 3.1 25.4 1.0 CB F:CAS623 3.4 22.8 1.0 CA F:CAS623 3.5 25.6 1.0 HB2 F:CAS623 3.7 27.4 1.0 N F:CAS623 3.8 24.7 1.0 H G:GLY626 3.9 21.4 1.0 H F:CAS623 4.0 29.7 1.0 CA G:GLY626 4.0 21.2 1.0 HA F:PHE639 4.0 31.9 1.0 OE1 F:GLN642 4.1 31.7 1.0 N G:GLY626 4.2 17.9 1.0 HB3 F:CAS623 4.2 27.4 1.0 HE1 F:MET615 4.3 37.1 1.0 O F:HOH708 4.3 24.1 1.0 C F:MET622 4.4 22.4 1.0 HA3 G:GLY626 4.4 25.4 1.0 HB2 F:PHE639 4.5 29.9 1.0 HB2 F:SER638 4.5 29.3 1.0 HB2 F:MET622 4.5 34.2 1.0 HB3 F:SER638 4.5 29.3 1.0 HB3 F:MET622 4.6 34.2 1.0 O F:HOH717 4.6 35.8 1.0 O F:MET622 4.7 22.2 1.0 HB G:THR625 4.7 22.2 1.0 O F:TYR619 4.7 26.4 1.0 HD2 F:PHE639 4.7 39.5 1.0 HB2 F:GLN642 4.7 32.7 1.0 N F:PHE639 4.7 26.0 1.0 CA F:PHE639 4.7 26.6 1.0 CD F:GLN642 4.8 29.7 1.0 HE22 F:GLN642 4.9 28.5 1.0 C F:SER638 4.9 23.5 1.0 CB F:SER638 4.9 24.4 1.0 CB F:MET622 4.9 28.5 1.0 C F:CAS623 4.9 20.8 1.0 H F:PHE639 4.9 31.2 1.0 O F:SER638 5.0 24.4 1.0

Arsenic binding site 7 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ G:As623 b:35.2 occ:1.00 AS G:CAS623 0.0 35.2 1.0 CE2 G:CAS623 1.9 36.6 1.0 CE1 G:CAS623 1.9 57.5 1.0 SG G:CAS623 2.3 32.0 1.0 HE21 G:CAS623 2.4 44.0 1.0 HE22 G:CAS623 2.4 44.0 1.0 HE11 G:CAS623 2.4 69.0 1.0 HE23 G:CAS623 2.5 44.0 1.0 HE13 G:CAS623 2.5 69.0 1.0 HE12 G:CAS623 2.5 69.0 1.0 HA G:CAS623 2.8 27.9 1.0 HA2 F:GLY626 3.1 20.6 1.0 CA G:CAS623 3.3 23.3 1.0 CB G:CAS623 3.4 21.2 1.0 N G:CAS623 3.6 18.9 1.0 H F:GLY626 3.7 24.7 1.0 H G:CAS623 3.8 22.6 1.0 HB2 G:CAS623 3.9 25.5 1.0 HB3 G:MET622 3.9 27.3 1.0 CA F:GLY626 4.0 17.1 1.0 HB2 G:MET622 4.0 27.3 1.0 C G:MET622 4.0 19.8 1.0 N F:GLY626 4.1 20.6 1.0 O G:HOH704 4.1 34.2 1.0 HB3 G:CAS623 4.1 25.5 1.0 HE1 G:MET615 4.3 36.2 1.0 HA G:PHE639 4.4 34.9 1.0 O G:MET622 4.4 18.8 1.0 HA3 F:GLY626 4.4 20.6 1.0 HB F:THR625 4.4 20.0 1.0 CB G:MET622 4.4 22.8 1.0 O G:TYR619 4.5 24.3 1.0 OE1 G:GLN642 4.6 59.5 1.0 HB3 G:SER638 4.6 40.8 1.0 HB2 G:SER638 4.8 40.8 1.0 C G:CAS623 4.8 21.2 1.0 HB2 G:PHE639 4.8 36.9 1.0 HD1 G:PHE639 4.8 35.7 1.0 HB2 G:GLN642 4.8 51.6 1.0 CA G:MET622 4.9 20.0 1.0

Arsenic binding site 8 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Chaetomium MEX67 Uba Domain within 5.0Å range: probe atom residue distance (Å) B Occ H:As623 b:39.5 occ:1.00 AS H:CAS623 0.0 39.5 1.0 CE2 H:CAS623 1.9 56.1 1.0 CE1 H:CAS623 1.9 34.0 1.0 SG H:CAS623 2.3 29.3 1.0 HE21 H:CAS623 2.4 67.3 1.0 HE22 H:CAS623 2.4 67.3 1.0 HE23 H:CAS623 2.4 67.3 1.0 HE11 H:CAS623 2.4 40.8 1.0 HE13 H:CAS623 2.5 40.8 1.0 HE12 H:CAS623 2.5 40.8 1.0 HA H:CAS623 2.9 28.4 1.0 CB H:CAS623 3.4 23.9 1.0 CA H:CAS623 3.5 23.6 1.0 HB2 H:CAS623 3.6 28.7 1.0 N H:CAS623 3.8 19.4 1.0 H H:CAS623 4.0 23.3 1.0 HA H:PHE639 4.0 31.4 1.0 OE1 H:GLN642 4.0 35.4 1.0 HB3 H:CAS623 4.2 28.7 1.0 HE1 H:MET615 4.3 46.2 1.0 O H:HOH705 4.3 29.7 1.0 HB3 H:SER638 4.4 33.1 1.0 O H:HOH706 4.4 41.3 1.0 HB2 H:SER638 4.4 33.1 1.0 HB2 H:MET622 4.4 25.1 1.0 C H:MET622 4.4 18.1 1.0 HB2 H:PHE639 4.5 28.0 1.0 HB3 H:MET622 4.5 25.1 1.0 HB2 H:GLN642 4.6 38.9 1.0 O H:TYR619 4.7 24.1 1.0 N H:PHE639 4.7 25.7 1.0 CD H:GLN642 4.7 32.8 1.0 O H:MET622 4.7 18.6 1.0 HD1 H:PHE639 4.7 42.5 1.0 CA H:PHE639 4.7 26.2 1.0 HE22 H:GLN642 4.8 39.2 1.0 CB H:SER638 4.8 27.6 1.0 CB H:MET622 4.9 21.0 1.0 C H:SER638 4.9 27.4 1.0 C H:CAS623 4.9 22.4 1.0 H H:PHE639 4.9 30.9 1.0 O H:SER638 5.0 33.9 1.0

S.Aibara, E.Valkov, M.H.Lamers, L.Dimitrova, E.Hurt, M.Stewart. Structural Characterization of the Principal Mrna-Export Factor MEX67-MTR2 From Chaetomium Thermophilum. Acta Crystallogr.,Sect.F V. 71 876 2015.
ISSN: ESSN 2053-230X
PubMed: 26144233
DOI: 10.1107/S2053230X15008766