Chlorine in PDB 6aw5: 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili

The structure of 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili, PDB code: 6aw5 was solved by S.Lovell, N.Mehzabeen, K.P.Battaile, Y.Deng, R.P.Hanzlik, I.Shams, J.Moskovitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.14 / 1.90
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	95.186, 95.186, 75.172, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 19.2

The structure of 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili (pdb code 6aw5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili, PDB code: 6aw5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:45.9 occ:1.00 NE2 A:HIS141 3.0 54.8 1.0 O A:HOH462 3.2 33.8 1.0 O A:HOH496 3.4 49.1 1.0 N A:TYR68 3.4 35.3 1.0 N A:GLY70 3.5 36.4 1.0 N A:TYR71 3.5 35.1 1.0 N A:CYS69 3.6 36.6 1.0 N A:SER72 3.6 32.0 1.0 CE1 A:HIS141 3.8 61.7 1.0 CD2 A:HIS141 3.9 57.6 1.0 OG A:SER72 4.0 36.1 1.0 C A:GLY70 4.0 35.1 1.0 CB A:TYR68 4.1 40.0 1.0 CA A:GLY70 4.1 36.4 1.0 CA A:TYR68 4.1 34.7 1.0 CB A:TYR71 4.2 34.0 1.0 CB A:SER72 4.2 36.4 1.0 CA A:TYR71 4.2 31.4 1.0 OD2 A:ASP140 4.3 50.9 1.0 C A:TYR68 4.3 36.5 1.0 C A:CYS69 4.4 39.5 1.0 CA A:ALA67 4.4 31.7 1.0 C A:ALA67 4.4 34.3 1.0 SG A:CYS69 4.4 43.5 1.0 C A:TYR71 4.4 33.6 1.0 CA A:CYS69 4.5 39.3 1.0 CA A:SER72 4.5 32.1 1.0 OE2 A:GLU64 4.7 37.4 1.0 CB A:ALA67 4.9 36.0 1.0 ND1 A:HIS141 5.0 58.0 1.0

Chlorine binding site 2 out of 2 in the 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.90A Resolution Structure of Catechol O-Methyltransferase (Comt) L136M (Hexagonal Form) From Nannospalax Galili within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:65.6 occ:0.50 O A:GLU52 3.1 46.6 1.0 CA A:GLU52 3.6 45.6 1.0 CB A:GLU52 3.6 52.8 1.0 C A:GLU52 3.7 46.6 1.0 N A:GLU56 3.9 48.0 1.0 CB A:GLN55 4.1 44.8 1.0 CB A:GLU56 4.1 57.8 1.0 CA A:GLU56 4.3 50.8 1.0 C A:GLN55 4.5 44.0 1.0 CG A:GLU52 4.6 62.5 1.0 CA A:GLN55 4.8 45.2 1.0 N A:VAL53 5.0 44.2 1.0 N A:GLU52 5.0 44.2 1.0

Y.Deng, S.Lovell, N.Mehzabeen, K.P.Battaile, R.P.Hanzlik, I.Shams, J.Moskovitz. Crystal Structure of the Catechol-O-Methyl Transferase (Comt) Enzyme of the Subterranean Mole Rat (Spalax) and the Effect of L136M Substitution To Be Published.