Arsenic in PDB 5bo4: Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals

The structure of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals, PDB code: 5bo4 was solved by M.S.Gadd, E.Bulatov, A.Ciulli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.30 / 2.90
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	185.217, 185.217, 67.204, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 28.7

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

Binding sites:

The binding sites of Arsenic atom in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals (pdb code 5bo4). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 11 binding sites of Arsenic where determined in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals, PDB code: 5bo4:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Arsenic binding site 1 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


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Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:As111 b:61.1 occ:1.00 AS A:CAS111 0.0 61.1 1.0 CE1 A:CAS111 2.0 65.7 1.0 CE2 A:CAS111 2.0 63.6 1.0 SG A:CAS111 2.2 66.6 1.0 CB A:CAS111 3.2 72.5 1.0 CA A:CAS111 3.8 77.9 1.0 N A:CAS111 4.4 71.9 1.0 CG2 A:ILE110 4.6 79.3 1.0 O A:ILE110 4.7 74.6 1.0 C A:ILE110 4.8 72.5 1.0 CD2 A:LEU95 4.8 54.5 1.0 CD1 A:LEU106 4.9 59.6 1.0

Arsenic binding site 2 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ B:As89 b:0.8 occ:1.00 AS B:CAS89 0.0 0.8 1.0 CE2 B:CAS89 2.0 0.3 1.0 CE1 B:CAS89 2.0 0.7 1.0 SG B:CAS89 2.2 0.0 1.0 CB B:CAS89 3.2 0.9 1.0 N B:ILE90 4.3 0.1 1.0 CA B:CAS89 4.3 0.2 1.0 O B:ILE90 4.4 0.7 1.0 C B:CAS89 4.4 0.3 1.0 C B:ILE90 4.5 0.7 1.0 OE1 B:GLU91 4.5 0.1 1.0 N B:GLU91 4.7 0.4 1.0 O B:CAS89 5.0 0.1 1.0

Arsenic binding site 3 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ D:As111 b:87.8 occ:1.00 AS D:CAS111 0.0 87.8 1.0 CE1 D:CAS111 2.0 77.9 1.0 CE2 D:CAS111 2.0 86.0 1.0 SG D:CAS111 2.2 83.3 1.0 CB D:CAS111 3.1 91.1 1.0 CA D:CAS111 3.5 96.8 1.0 N D:CAS111 4.3 97.7 1.0 O D:ILE110 4.5 91.0 1.0 C D:ILE110 4.7 97.6 1.0 C D:CAS111 4.8 99.1 1.0 CG2 D:ILE110 4.8 93.8 1.0

Arsenic binding site 4 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ E:As89 b:0.7 occ:1.00 AS E:CAS89 0.0 0.7 1.0 CE2 E:CAS89 2.0 0.3 1.0 CE1 E:CAS89 2.0 0.3 1.0 SG E:CAS89 2.2 0.1 1.0 CB E:CAS89 3.1 0.1 1.0 C E:CAS89 4.1 0.6 1.0 CA E:CAS89 4.1 0.1 1.0 N E:GLU91 4.2 91.2 1.0 O E:CAS89 4.3 0.8 1.0 OE1 E:GLU91 4.4 0.1 1.0 CA E:HIS10 4.4 1.0 1.0 N E:ILE90 4.5 0.3 1.0 CG E:HIS10 4.5 0.8 1.0 CD2 E:HIS10 4.6 0.1 1.0 CA E:GLU91 4.6 99.5 1.0 CB E:GLU91 4.7 0.7 1.0 ND1 E:HIS10 4.7 0.1 1.0 C E:ILE90 4.8 93.7 1.0 CB E:HIS10 4.8 0.1 1.0 NE2 E:HIS10 4.9 0.8 1.0 CE1 E:HIS10 4.9 0.3 1.0

Arsenic binding site 5 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ G:As111 b:50.8 occ:1.00 AS G:CAS111 0.0 50.8 1.0 CE1 G:CAS111 2.0 53.6 1.0 CE2 G:CAS111 2.0 58.0 1.0 SG G:CAS111 2.2 66.7 1.0 CB G:CAS111 3.2 58.2 1.0 CA G:CAS111 3.8 59.1 1.0 O P:SER89 4.3 45.4 1.0 CD2 G:LEU95 4.6 44.0 1.0 CG2 G:ILE110 4.6 55.6 1.0 N G:CAS111 4.6 56.3 1.0 O G:ILE110 4.7 63.4 1.0 O P:ALA90 4.7 45.1 1.0 C G:ILE110 4.9 58.1 1.0 C P:ALA90 4.9 43.1 1.0 CD1 G:LEU106 5.0 43.2 1.0 C G:CAS111 5.0 59.9 1.0 CD1 G:LEU95 5.0 43.7 1.0

Arsenic binding site 6 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ H:As89 b:0.3 occ:1.00 AS H:CAS89 0.0 0.3 1.0 CE1 H:CAS89 2.0 0.9 1.0 CE2 H:CAS89 2.0 0.1 1.0 SG H:CAS89 2.2 0.2 1.0 CB H:CAS89 3.1 91.8 1.0 C H:CAS89 3.7 75.0 1.0 O H:CAS89 3.8 75.0 1.0 CD2 H:HIS10 3.9 82.1 1.0 CA H:CAS89 4.0 82.9 1.0 CA H:HIS10 4.0 77.2 1.0 CG H:HIS10 4.2 82.5 1.0 N H:ILE90 4.2 71.4 1.0 N H:GLU91 4.4 72.1 1.0 NE2 H:HIS10 4.5 82.8 1.0 CB H:HIS10 4.5 79.2 1.0 N H:HIS10 4.6 76.2 1.0 C H:ILE90 4.6 70.4 1.0 CA H:ILE90 4.7 69.0 1.0 ND1 H:HIS10 4.8 82.3 1.0 C H:HIS10 4.9 76.6 1.0 CE1 H:HIS10 4.9 83.4 1.0 CA H:GLU91 4.9 74.4 1.0 CB H:GLU91 5.0 74.7 1.0

Arsenic binding site 7 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ J:As111 b:78.7 occ:1.00 AS J:CAS111 0.0 78.7 1.0 CE1 J:CAS111 2.0 80.4 1.0 CE2 J:CAS111 2.0 80.3 1.0 SG J:CAS111 2.2 0.5 1.0 CB J:CAS111 3.1 93.5 1.0 CA J:CAS111 3.4 95.7 1.0 N J:CAS111 4.1 93.8 1.0 CG2 J:ILE110 4.5 77.4 1.0 C J:ILE110 4.7 91.7 1.0 C J:CAS111 4.7 0.4 1.0 O J:ILE110 4.8 89.0 1.0 CD1 J:LEU106 4.9 70.5 1.0 CD2 J:LEU95 5.0 68.3 1.0

Arsenic binding site 8 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ K:As89 b:0.9 occ:1.00 AS K:CAS89 0.0 0.9 1.0 CE2 K:CAS89 2.0 0.4 1.0 CE1 K:CAS89 2.0 0.2 1.0 SG K:CAS89 2.2 0.2 1.0 CB K:CAS89 3.1 97.4 1.0 OE1 K:GLU91 3.9 0.8 1.0 CA K:CAS89 4.1 91.6 1.0 C K:CAS89 4.1 92.9 1.0 CA K:HIS10 4.2 82.5 1.0 N K:GLU91 4.3 82.5 1.0 CB K:GLU91 4.3 91.5 1.0 CD2 K:HIS10 4.4 80.8 1.0 CG K:HIS10 4.4 81.3 1.0 N K:ILE90 4.4 88.4 1.0 O K:CAS89 4.4 99.2 1.0 CA K:GLU91 4.6 87.1 1.0 CB K:HIS10 4.6 83.1 1.0 CD K:GLU91 4.7 1.0 1.0 C K:ILE90 4.7 79.7 1.0 NE2 K:HIS10 4.8 75.0 1.0 ND1 K:HIS10 4.8 76.8 1.0 N K:HIS10 4.9 78.9 1.0 CG K:GLU91 4.9 0.6 1.0 C K:HIS10 5.0 81.7 1.0

Arsenic binding site 9 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 9 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ M:As111 b:70.0 occ:1.00 AS M:CAS111 0.0 70.0 1.0 CE1 M:CAS111 2.0 71.6 1.0 CE2 M:CAS111 2.0 72.8 1.0 SG M:CAS111 2.2 74.6 1.0 CB M:CAS111 3.2 78.0 1.0 CA M:CAS111 3.8 78.0 1.0 N M:CAS111 4.4 70.7 1.0 CG2 M:ILE110 4.7 62.5 1.0 O M:ILE110 4.7 65.9 1.0 CD2 M:LEU95 4.8 60.5 1.0 C M:ILE110 4.8 66.1 1.0 CD1 M:LEU106 4.9 60.0 1.0

Arsenic binding site 10 out of 11 in the Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 10 of Structure of SOCS2:Elongin C:Elongin B From Dmso-Treated Crystals within 5.0Å range: probe atom residue distance (Å) B Occ P:As111 b:50.9 occ:1.00 AS P:CAS111 0.0 50.9 1.0 CE1 P:CAS111 2.0 56.3 1.0 CE2 P:CAS111 2.0 54.7 1.0 SG P:CAS111 2.2 55.5 1.0 CB P:CAS111 3.3 55.5 1.0 O G:SER89 3.8 49.7 1.0 CA P:CAS111 3.9 61.0 1.0 O G:ALA90 4.6 49.9 1.0 CG2 P:ILE110 4.8 50.9 1.0 N P:CAS111 4.8 62.7 1.0 O P:ILE110 4.8 64.0 1.0 CD2 P:LEU95 4.9 39.9 1.0 C G:ALA90 4.9 46.8 1.0 C G:SER89 5.0 47.8 1.0 C P:CAS111 5.0 65.3 1.0

M.S.Gadd, E.Bulatov, A.Ciulli. Serendipitous Sad Solution For Dmso-Soaked SOCS2-Elonginc-Elonginb Crystals Using Covalently Incorporated Dimethylarsenic: Insights Into Substrate Receptor Conformational Flexibility in Cullin Ring Ligases. Plos One V. 10 31218 2015.
ISSN: ESSN 1932-6203
PubMed: 26121586
DOI: 10.1371/JOURNAL.PONE.0131218