Arsenic in PDB 8d6t: Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)

The structure of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal), PDB code: 8d6t was solved by Z.Chen, S.Zakrzewska, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.50 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.026, 107.812, 253.579, 90, 90, 90
R / Rfree (%)	20.7 / 23.4

The binding sites of Arsenic atom in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) (pdb code 8d6t). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal), PDB code: 8d6t:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ B:As902 b:154.3 occ:1.00 AS B:CAC902 0.0 154.3 1.0 O1 B:CAC902 1.7 95.0 1.0 O2 B:CAC902 1.7 85.5 1.0 C2 B:CAC902 2.0 128.9 1.0 C1 B:CAC902 2.0 106.2 1.0 NH2 B:ARG150 4.4 62.0 1.0 SG B:CYS122 4.7 62.1 1.0 SG B:CYS129 4.7 59.5 1.0

Arsenic binding site 2 out of 6 in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ B:As903 b:173.1 occ:1.00 AS B:CAC903 0.0 173.1 1.0 O2 B:CAC903 1.7 73.5 1.0 O1 B:CAC903 1.7 81.5 1.0 C2 B:CAC903 2.0 69.5 1.0 C1 B:CAC903 2.0 93.1 1.0 O B:HOH1187 4.3 53.5 1.0 CB B:SER263 4.4 56.5 1.0 O B:HOH1080 4.5 57.7 1.0 CB B:GLU43 4.7 46.3 1.0 OH B:TYR72 4.7 48.3 1.0 OG B:SER263 4.8 61.8 1.0 OE1 B:GLU43 4.9 49.7 1.0 O B:HOH1233 5.0 64.0 1.0

Arsenic binding site 3 out of 6 in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ B:As904 b:177.1 occ:1.00 AS B:CAC904 0.0 177.1 1.0 O2 B:CAC904 1.7 108.5 1.0 O1 B:CAC904 1.7 114.5 1.0 C1 B:CAC904 2.0 115.2 1.0 C2 B:CAC904 2.0 124.1 1.0 O B:HOH1276 4.8 67.0 1.0 O B:HOH1263 4.8 62.0 1.0

Arsenic binding site 4 out of 6 in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:As902 b:158.8 occ:1.00 AS A:CAC902 0.0 158.8 1.0 O2 A:CAC902 1.7 129.2 1.0 O1 A:CAC902 1.7 98.8 1.0 C1 A:CAC902 2.0 86.4 1.0 C2 A:CAC902 2.0 89.9 1.0 SG A:CYS122 4.5 52.9 1.0 O A:HOH1256 4.6 58.6 1.0 SG A:CYS129 4.7 44.2 1.0 CB A:CYS122 4.9 48.5 1.0 NH2 A:ARG150 4.9 47.0 1.0

Arsenic binding site 5 out of 6 in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:As903 b:162.8 occ:1.00 AS A:CAC903 0.0 162.8 1.0 O1 A:CAC903 1.7 109.8 1.0 O2 A:CAC903 1.7 85.3 1.0 C2 A:CAC903 2.0 94.2 1.0 C1 A:CAC903 2.0 66.2 1.0 CB A:SER263 4.4 51.0 1.0 OG A:SER263 4.6 64.3 1.0 OE1 A:GLU66 4.7 91.5 1.0 CB A:GLU43 4.7 44.0 1.0 OE1 A:GLU43 4.7 46.1 1.0 ND2 A:ASN326 4.8 53.6 1.0 OH A:TYR72 4.9 39.8 1.0

Arsenic binding site 6 out of 6 in the Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Rana Catesbeiana Saxiphilin Mutant - Y558I:Stx (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:As904 b:186.8 occ:1.00 AS A:CAC904 0.0 186.8 1.0 O2 A:CAC904 1.7 107.7 1.0 O1 A:CAC904 1.7 113.7 1.0 C2 A:CAC904 2.0 110.0 1.0 C1 A:CAC904 2.0 116.9 1.0 O A:LYS279 4.0 64.6 1.0 CA A:SER282 4.5 74.4 1.0 N A:SER282 4.5 67.6 1.0 CB A:SER282 4.6 73.3 1.0 C A:LEU281 4.9 63.9 1.0 C A:LYS279 4.9 61.6 1.0

Z.Chen, S.Zakrzewska, H.S.Hajare, A.Alvarez-Buylla, F.Abderemane-Ali, M.Bogan, D.Ramirez, L.A.O'connell, J.Du Bois, D.L.Minor Jr.. Definition of A Saxitoxin (Stx) Binding Code Enables Discovery and Characterization of the Anuran Saxiphilin Family. Proc.Natl.Acad.Sci.Usa V. 119 14119 2022.
ISSN: ESSN 1091-6490
PubMed: 36279441
DOI: 10.1073/PNAS.2210114119