Zinc in PDB 4a6d: Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam

All present enzymatic activity of Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam:
2.1.1.4;

The structure of Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam, PDB code: 4a6d was solved by P.Legrand, A.Haouz, W.Shepard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.76 / 2.40
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	170.400, 170.400, 123.320, 90.00, 90.00, 120.00
R / Rfree (%)	17.59 / 20.41

The binding sites of Zinc atom in the Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam (pdb code 4a6d). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam, PDB code: 4a6d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1348 b:97.8 occ:1.00 NE2 A:HIS271 2.1 72.0 1.0 OE1 A:GLU267 2.2 0.1 1.0 O A:HOH2041 2.2 97.8 1.0 O A:HOH2065 2.9 83.1 1.0 O A:HOH2057 2.9 95.5 1.0 CE1 A:HIS271 3.1 71.2 1.0 CD A:GLU267 3.2 0.7 1.0 CD2 A:HIS271 3.2 71.5 1.0 OE2 A:GLU267 3.6 0.8 1.0 ND1 A:HIS271 4.2 71.2 1.0 CG A:HIS271 4.3 68.9 1.0 O A:ALA324 4.3 68.0 1.0 CG A:GLU267 4.4 77.2 1.0 CB A:GLU267 4.7 65.2 1.0 CD2 A:TYR270 4.8 63.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human N-Acetylserotonin Methyltransferase (Asmt) in Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1349 b:0.1 occ:0.50 SD A:MET319 2.2 87.3 0.6 CG A:MET319 2.8 79.2 0.6 CB A:MET319 3.3 71.9 0.6 CG A:MET319 3.5 76.0 0.4 CA A:MET319 3.7 67.5 0.6 CA A:MET319 3.8 66.7 0.4 CB A:MET319 3.8 69.8 0.4 CE A:MET319 4.0 84.1 0.6 SD A:MET319 4.4 81.8 0.4 N A:MET319 4.7 66.4 1.0 C A:MET319 4.8 68.4 1.0 O A:MET319 4.9 68.0 1.0

H.G.Botros, P.Legrand, C.Pagan, V.Bondet, P.Weber, M.Ben-Abdallah, N.Lemiere, G.Huguet, J.Bellalou, E.Maronde, P.Beguin, A.Haouz, W.Shepard, T.Bourgeron. Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway. J.Pineal Res. V. 54 46 2013.
ISSN: ISSN 0742-3098
PubMed: 22775292
DOI: 10.1111/J.1600-079X.2012.01020.X