Arsenic in PDB 5w0r: Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid

All present enzymatic activity of Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid:
3.5.4.38;

The structure of Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid, PDB code: 5w0r was solved by Q.Qiao, L.Wang, H.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.81 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.960, 179.070, 188.080, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 23.9

The structure of Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Arsenic atom in the Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid (pdb code 5w0r). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid, PDB code: 5w0r:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:As2002 b:43.2 occ:1.00 AS B:CAC2002 0.0 43.2 1.0 O1 B:CAC2002 1.7 30.1 1.0 O2 B:CAC2002 1.7 39.4 1.0 C2 B:CAC2002 2.0 26.6 1.0 C1 B:CAC2002 2.0 29.8 1.0 ZN B:ZN2001 3.4 36.3 1.0 O B:HOH2127 3.7 24.1 1.0 OG1 B:THR1027 3.8 39.4 1.0 O B:HOH2161 4.0 32.0 1.0 N B:CYS1087 4.2 42.2 1.0 ND1 B:HIS1056 4.3 43.1 1.0 CG B:HIS1056 4.4 41.5 1.0 CB B:CYS1087 4.5 45.8 1.0 O B:SER1085 4.6 38.9 1.0 CB B:THR1027 4.6 37.8 1.0 CE1 B:HIS1056 4.7 45.2 1.0 CG2 B:THR1027 4.7 36.2 1.0 CB B:HIS1056 4.8 39.1 1.0 SG B:CYS1087 4.8 40.1 1.0 CA B:PRO1086 4.8 38.4 1.0 CD2 B:HIS1056 4.9 43.0 1.0 C B:PRO1086 4.9 41.1 1.0 NE2 B:HIS1056 5.0 45.4 1.0 CA B:CYS1087 5.0 44.9 1.0 CB B:TRP1084 5.0 35.7 1.0 O B:HOH2203 5.0 45.3 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Mbp Fused Activation-Induced Cytidine Deaminase (Aid) in Complex with Cacodylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:As2002 b:49.2 occ:1.00 AS A:CAC2002 0.0 49.2 1.0 O1 A:CAC2002 1.7 58.3 1.0 O2 A:CAC2002 1.7 53.1 1.0 C2 A:CAC2002 2.0 33.7 1.0 C1 A:CAC2002 2.0 33.7 1.0 ZN A:ZN2001 3.3 42.1 1.0 O A:HOH2131 3.6 31.6 1.0 OG1 A:THR1027 3.8 39.1 1.0 ND1 A:HIS1056 4.0 46.6 1.0 N A:CYS1087 4.2 39.5 1.0 CG A:HIS1056 4.3 45.7 1.0 CB A:CYS1087 4.4 43.7 1.0 CE1 A:HIS1056 4.5 48.9 1.0 O A:SER1085 4.5 38.5 1.0 CB A:HIS1056 4.6 44.3 1.0 CB A:THR1027 4.7 37.1 1.0 SG A:CYS1087 4.7 47.7 1.0 CG2 A:THR1027 4.8 35.3 1.0 CD2 A:TYR1114 4.9 55.1 1.0 SG A:CYS1090 4.9 37.4 1.0 CE2 A:TYR1114 4.9 57.2 1.0 CA A:PRO1086 4.9 36.3 1.0 O A:HOH2167 5.0 37.0 1.0 CD2 A:HIS1056 5.0 47.0 1.0 CA A:CYS1087 5.0 42.8 1.0 CB A:TRP1084 5.0 35.8 1.0

Q.Qiao, L.Wang, F.L.Meng, J.K.Hwang, F.W.Alt, H.Wu. Aid Recognizes Structured Dna For Class Switch Recombination. Mol. Cell V. 67 361 2017.
ISSN: ISSN 1097-4164
PubMed: 28757211
DOI: 10.1016/J.MOLCEL.2017.06.034