Arsenic in PDB 4b09: Structure of Unphosphorylated Baer Dimer

The structure of Structure of Unphosphorylated Baer Dimer, PDB code: 4b09 was solved by H.Choudhury, K.Beis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.549 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	236.602, 130.401, 198.213, 90.00, 90.40, 90.00
R / Rfree (%)	22.52 / 24.48

The structure of Structure of Unphosphorylated Baer Dimer also contains other interesting chemical elements:

Bromine	(Br)	108 atoms
Tantalum	(Ta)	54 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Arsenic atom in the Structure of Unphosphorylated Baer Dimer (pdb code 4b09). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 18 binding sites of Arsenic where determined in the Structure of Unphosphorylated Baer Dimer, PDB code: 4b09:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Arsenic binding site 1 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ A:As73 b:0.1 occ:1.00 AS A:CAS73 0.0 0.1 1.0 CE1 A:CAS73 2.0 52.2 1.0 CE2 A:CAS73 2.0 53.1 1.0 SG A:CAS73 2.2 91.3 1.0 O A:CAS73 3.2 96.0 1.0 CB A:CAS73 3.4 92.5 1.0 C A:CAS73 3.4 95.3 1.0 N A:ARG74 3.8 0.3 1.0 CA A:CAS73 3.9 95.5 1.0 CA A:ARG74 4.2 1.0 1.0 SD A:MET86 4.3 74.5 1.0 CB A:ARG77 4.4 92.2 1.0 CD1 A:ILE84 4.8 80.7 1.0 OD1 B:ASP106 4.9 78.5 1.0 CG A:ARG77 4.9 90.5 1.0 NE A:ARG77 4.9 90.4 1.0

Arsenic binding site 2 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:As73 b:0.3 occ:1.00 AS B:CAS73 0.0 0.3 1.0 CE1 B:CAS73 2.0 0.8 1.0 CE2 B:CAS73 2.0 1.0 1.0 SG B:CAS73 2.3 0.2 1.0 CB B:CAS73 3.2 0.5 1.0 SD B:MET86 4.5 86.5 1.0 CA B:CAS73 4.5 0.6 1.0 C B:CAS73 4.6 0.0 1.0 CG A:ASP106 4.8 84.9 1.0 O B:CAS73 4.8 0.3 1.0 CG2 B:ILE84 4.8 77.1 1.0 CD2 B:LEU70 4.8 88.4 1.0 OD1 A:ASP106 4.9 88.1 1.0 CD2 A:LEU100 4.9 72.4 1.0 N B:ARG74 4.9 0.7 1.0 CB A:ASP106 5.0 82.4 1.0

Arsenic binding site 3 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:As109 b:0.8 occ:1.00 AS B:CAS109 0.0 0.8 1.0 CE2 B:CAS109 2.0 30.6 1.0 CE1 B:CAS109 2.0 61.5 1.0 SG B:CAS109 2.2 91.0 1.0 CB B:CAS109 3.3 87.9 1.0 CA B:CAS109 3.6 86.2 1.0 N B:LYS110 4.0 68.7 1.0 C B:CAS109 4.0 89.9 1.0 CE1 A:TYR112 4.1 70.3 1.0 NE A:ARG120 4.3 0.9 1.0 O B:LYS110 4.6 67.4 1.0 CD1 A:TYR112 4.6 69.9 1.0 CD A:ARG120 4.7 0.1 1.0 CZ A:TYR112 4.9 73.9 1.0 N B:CAS109 4.9 85.5 1.0 O B:CAS109 4.9 95.0 1.0

Arsenic binding site 4 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ C:As73 b:0.7 occ:1.00 AS C:CAS73 0.0 0.7 1.0 CE1 C:CAS73 2.0 28.0 1.0 CE2 C:CAS73 2.0 47.4 1.0 SG C:CAS73 2.1 0.0 1.0 CB C:CAS73 3.2 0.5 1.0 O C:CAS73 3.3 0.2 1.0 C C:CAS73 3.3 0.2 1.0 N C:ARG74 3.7 0.5 1.0 CA C:CAS73 3.8 0.0 1.0 CA C:ARG74 4.1 0.3 1.0 SD C:MET86 4.2 84.8 1.0 CB C:ARG77 4.6 93.7 1.0 O C:LEU70 4.9 0.8 1.0 CD1 C:ILE84 4.9 85.4 1.0 CB C:ARG74 5.0 0.7 1.0 OD1 D:ASP106 5.0 82.3 1.0

Arsenic binding site 5 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ D:As73 b:0.9 occ:1.00 AS D:CAS73 0.0 0.9 1.0 CE2 D:CAS73 2.0 0.9 1.0 CE1 D:CAS73 2.0 0.5 1.0 SG D:CAS73 2.2 0.5 1.0 CB D:CAS73 3.2 0.5 1.0 CA D:CAS73 4.5 0.5 1.0 SD D:MET86 4.5 0.7 1.0 C D:CAS73 4.6 0.2 1.0 CG2 D:ILE84 4.7 88.5 1.0 CG C:ASP106 4.7 80.6 1.0 OD1 C:ASP106 4.7 82.7 1.0 O D:CAS73 4.8 1.0 1.0 CB C:ASP106 4.8 78.5 1.0 CD2 D:LEU70 4.9 99.3 1.0 CD2 C:LEU100 4.9 84.9 1.0 N D:ARG74 5.0 0.3 1.0 OD2 C:ASP106 5.0 80.3 1.0

Arsenic binding site 6 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ D:As109 b:0.0 occ:1.00 AS D:CAS109 0.0 0.0 1.0 CE2 D:CAS109 2.0 0.8 1.0 CE1 D:CAS109 2.0 0.8 1.0 SG D:CAS109 2.1 0.5 1.0 CB D:CAS109 3.3 0.5 1.0 CA D:CAS109 3.6 0.8 1.0 N D:LYS110 4.1 76.8 1.0 C D:CAS109 4.1 0.2 1.0 CE1 C:TYR112 4.1 81.5 1.0 NE C:ARG120 4.4 0.1 1.0 CD1 C:TYR112 4.5 80.9 1.0 O D:LYS110 4.6 74.5 1.0 CZ C:TYR112 4.8 82.0 1.0 CD C:ARG120 4.8 0.6 1.0 CG2 C:VAL117 4.9 64.5 1.0 O D:CAS109 4.9 0.6 1.0 OH C:TYR112 5.0 83.4 1.0 N D:CAS109 5.0 0.3 1.0

Arsenic binding site 7 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ E:As73 b:0.2 occ:1.00 AS E:CAS73 0.0 0.2 1.0 CE1 E:CAS73 2.0 0.1 1.0 CE2 E:CAS73 2.0 0.1 1.0 SG E:CAS73 2.2 0.2 1.0 O E:CAS73 3.3 0.3 1.0 CB E:CAS73 3.3 0.2 1.0 C E:CAS73 3.4 0.1 1.0 N E:ARG74 3.8 0.5 1.0 CA E:CAS73 3.9 0.5 1.0 CA E:ARG74 4.2 0.5 1.0 SD E:MET86 4.3 74.2 1.0 CB E:ARG77 4.5 98.9 1.0 CD1 E:ILE84 4.8 87.0 1.0 CG E:ARG77 5.0 97.3 1.0 NE E:ARG77 5.0 97.1 1.0

Arsenic binding site 8 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ F:As73 b:1.0 occ:1.00 AS F:CAS73 0.0 1.0 1.0 CE2 F:CAS73 2.0 0.5 1.0 CE1 F:CAS73 2.0 0.8 1.0 SG F:CAS73 2.4 0.5 1.0 CB F:CAS73 3.3 0.2 1.0 CA F:CAS73 4.5 0.8 1.0 SD F:MET86 4.6 93.4 1.0 CD2 E:LEU100 4.6 74.8 1.0 C F:CAS73 4.6 0.3 1.0 CD1 E:LEU100 4.8 79.4 1.0 O F:CAS73 4.8 0.9 1.0 CD2 F:LEU70 4.9 95.1 1.0 CE F:MET86 4.9 98.2 1.0 N F:ARG74 4.9 0.1 1.0

Arsenic binding site 9 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 9 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ F:As109 b:0.7 occ:1.00 AS F:CAS109 0.0 0.7 1.0 CE1 F:CAS109 2.0 64.1 1.0 CE2 F:CAS109 2.0 47.5 1.0 SG F:CAS109 2.2 1.0 1.0 CB F:CAS109 3.3 0.3 1.0 CA F:CAS109 3.6 0.0 1.0 N F:LYS110 3.9 76.7 1.0 C F:CAS109 4.0 0.7 1.0 CE1 E:TYR112 4.0 74.9 1.0 NE E:ARG120 4.3 0.9 1.0 O F:LYS110 4.5 72.2 1.0 CD1 E:TYR112 4.5 73.5 1.0 CZ E:TYR112 4.8 76.9 1.0 CD E:ARG120 4.8 0.2 1.0 O F:CAS109 4.9 0.5 1.0 N F:CAS109 4.9 0.9 1.0 OH E:TYR112 4.9 79.2 1.0 C F:LYS110 5.0 76.0 1.0 CA F:LYS110 5.0 78.8 1.0

Arsenic binding site 10 out of 18 in the Structure of Unphosphorylated Baer Dimer


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 10 of Structure of Unphosphorylated Baer Dimer within 5.0Å range: probe atom residue distance (Å) B Occ G:As73 b:0.7 occ:1.00 AS G:CAS73 0.0 0.7 1.0 CE1 G:CAS73 2.0 0.6 1.0 CE2 G:CAS73 2.0 0.5 1.0 SG G:CAS73 2.2 0.3 1.0 O G:CAS73 3.3 0.3 1.0 CB G:CAS73 3.3 0.0 1.0 C G:CAS73 3.4 0.7 1.0 N G:ARG74 3.8 1.0 1.0 CA G:CAS73 3.9 0.3 1.0 CA G:ARG74 4.2 0.9 1.0 SD G:MET86 4.3 0.7 1.0 CB G:ARG77 4.5 0.8 1.0 OD1 H:ASP106 4.8 94.2 1.0 CD1 G:ILE84 4.9 89.8 1.0 CG H:ASP106 4.9 94.3 1.0 O G:LEU70 5.0 0.4 1.0 CG G:ARG77 5.0 0.6 1.0

H.G.Choudhury, K.Beis. The Dimeric Form of the Unphosphorylated Response Regulator Baer. Protein Sci. V. 22 1287 2013.
ISSN: ISSN 0961-8368
PubMed: 23868292
DOI: 10.1002/PRO.2311