Chlorine in PDB 7vb8: SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+)

The structure of SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+), PDB code: 7vb8 was solved by K.C.Pow, Q.Hao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.46 / 1.72
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.831, 96.831, 168.038, 90, 90, 120
R / Rfree (%)	16.3 / 18.9

The binding sites of Chlorine atom in the SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+) (pdb code 7vb8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+), PDB code: 7vb8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl410 b:35.2 occ:1.00 N B:GLU77 3.3 28.9 1.0 C B:ARG75 3.3 29.0 1.0 CA B:ARG75 3.4 27.3 1.0 N B:PRO76 3.5 29.2 1.0 N B:VAL78 3.6 25.6 1.0 CB B:GLU77 3.6 36.1 1.0 CD B:PRO76 3.8 31.0 1.0 CB B:ARG75 3.8 32.6 1.0 CA B:GLU77 3.8 33.1 1.0 O B:ARG75 3.8 25.3 1.0 CG2 B:VAL78 3.8 30.5 1.0 C B:GLU77 4.2 27.9 1.0 C B:PRO76 4.2 27.1 1.0 CG B:GLU77 4.3 46.7 1.0 CB B:VAL78 4.4 25.2 1.0 CA B:PRO76 4.5 27.0 1.0 CA B:VAL78 4.6 23.9 1.0 CG B:PRO76 4.6 31.0 1.0 CG B:ARG75 4.6 37.4 1.0 N B:ARG75 4.8 27.6 1.0

Chlorine binding site 2 out of 3 in the SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl411 b:49.3 occ:1.00 N B:HIS247 3.1 28.9 1.0 ND1 B:HIS247 3.2 33.5 1.0 CD B:PRO246 3.5 30.2 1.0 CB B:HIS247 3.5 32.8 1.0 N B:PRO246 3.7 27.7 1.0 CG B:HIS247 3.8 32.6 1.0 CB B:PRO246 3.9 34.6 1.0 CA B:HIS247 3.9 30.4 1.0 CG B:PRO246 4.0 32.3 1.0 C B:PRO246 4.0 23.6 1.0 CA B:PRO246 4.0 29.2 1.0 CB B:LEU245 4.2 31.1 1.0 C B:LEU245 4.3 23.4 1.0 CE1 B:HIS247 4.4 34.9 1.0 CA B:LEU245 4.7 28.1 1.0

Chlorine binding site 3 out of 3 in the SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl418 b:38.5 occ:1.00 CB A:GLU77 3.3 43.5 1.0 C A:ARG75 3.3 32.8 1.0 N A:GLU77 3.4 29.5 1.0 O A:HOH742 3.4 46.6 1.0 CA A:ARG75 3.4 32.2 1.0 N A:PRO76 3.5 29.5 1.0 N A:VAL78 3.6 30.0 1.0 CD A:PRO76 3.6 32.8 1.0 CB A:ARG75 3.7 33.7 1.0 CA A:GLU77 3.8 34.0 1.0 O A:ARG75 3.9 28.7 1.0 CG2 A:VAL78 4.0 27.9 1.0 C A:GLU77 4.2 31.2 1.0 C A:PRO76 4.3 31.6 1.0 CA A:PRO76 4.5 30.0 1.0 CB A:VAL78 4.5 26.6 1.0 CG A:GLU77 4.6 61.6 1.0 CG A:ARG75 4.6 36.3 1.0 CA A:VAL78 4.6 26.6 1.0 CG A:PRO76 4.7 33.3 1.0 N A:ARG75 4.8 33.7 1.0 CD A:GLU77 5.0 75.3 1.0

K.C.Pow, Q.Hao. SBSOMT2 in Complex with Resveratrol and Nicotinamide Adenine Dinucleotide(Nad+) To Be Published.