Chlorine in PDB 5akq: X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc

All present enzymatic activity of X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc:
3.5.99.4;

The structure of X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc, PDB code: 5akq was solved by S.Balotra, A.C.Warden, J.Newman, L.J.Briggs, C.Scott, T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	110.50 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.204, 86.581, 114.066, 90.00, 104.36, 90.00
R / Rfree (%)	20.451 / 24.129

The structure of X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc (pdb code 5akq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc, PDB code: 5akq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1404 b:38.3 occ:0.50 N A:VAL196 3.4 27.1 1.0 N A:GLU197 3.5 31.9 1.0 CB A:VAL196 3.7 26.6 1.0 CG A:GLU197 3.9 33.3 1.0 CA A:VAL196 4.0 28.5 1.0 CG2 A:VAL196 4.2 24.8 1.0 CB A:GLU197 4.2 32.9 1.0 C A:VAL196 4.3 31.3 1.0 OD1 A:ASN195 4.3 31.3 1.0 C A:ASN195 4.4 25.2 1.0 CA A:GLU197 4.5 32.1 1.0 CA A:ASN195 4.6 27.0 1.0 OE2 A:GLU197 4.7 32.7 1.0 CD A:GLU197 4.8 32.9 1.0 CG1 A:VAL196 4.9 26.4 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1404 b:41.8 occ:0.50 N B:VAL196 3.4 29.1 1.0 N B:GLU197 3.5 31.7 1.0 CB B:VAL196 3.8 29.3 1.0 CG B:GLU197 3.8 32.2 1.0 CA B:VAL196 4.0 29.7 1.0 CB B:GLU197 4.2 31.7 1.0 C B:VAL196 4.2 31.2 1.0 CG2 B:VAL196 4.2 28.3 1.0 OD1 B:ASN195 4.3 32.1 1.0 C B:ASN195 4.4 28.2 1.0 CA B:GLU197 4.5 33.0 1.0 CA B:ASN195 4.6 29.7 1.0 OE2 B:GLU197 4.6 30.1 1.0 CD B:GLU197 4.8 31.9 1.0 CG1 B:VAL196 5.0 27.8 1.0

S.Balotra, A.C.Warden, J.Newman, L.J.Briggs, C.Scott, T.S.Peat. X-Ray Structure and Mutagenesis Studies of the N- Isopropylammelide Isopropylaminohydrolase, Atzc To Be Published.