Chlorine in PDB 1wrv: Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase

All present enzymatic activity of Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase:
2.6.1.42;

The structure of Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase, PDB code: 1wrv was solved by M.Goto, Riken Structural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.99 / 1.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	143.410, 143.410, 116.220, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase (pdb code 1wrv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase, PDB code: 1wrv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl420 b:13.1 occ:1.00 O C:HOH1437 3.1 9.8 1.0 NH1 A:ARG68 3.2 16.1 1.0 NH1 C:ARG269 3.5 12.4 1.0 CD A:ARG68 3.7 12.9 1.0 CD1 C:TRP268 3.9 15.6 1.0 O C:ASP267 3.9 8.5 1.0 CZ A:ARG68 4.2 16.0 1.0 CZ C:ARG269 4.3 12.7 1.0 NE A:ARG68 4.3 14.8 1.0 NH2 C:ARG269 4.4 12.6 1.0 CG C:TRP268 4.7 14.5 1.0 C C:ASP267 4.7 8.1 1.0 CB C:TRP268 4.8 12.3 1.0 NE1 C:TRP268 4.8 17.2 1.0 CG A:ARG68 4.9 12.8 1.0 O C:HOH1443 4.9 12.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1420 b:13.9 occ:1.00 O A:HOH1451 3.1 11.1 1.0 NH1 B:ARG68 3.1 15.9 1.0 NH1 A:ARG269 3.5 13.6 1.0 CD B:ARG68 3.6 14.3 1.0 O A:ASP267 4.0 9.2 1.0 CD1 A:TRP268 4.0 16.9 1.0 CZ B:ARG68 4.1 16.7 1.0 NE B:ARG68 4.3 15.0 1.0 NH2 A:ARG269 4.3 14.2 1.0 CZ A:ARG269 4.3 12.9 1.0 O A:HOH1493 4.6 23.2 1.0 C A:ASP267 4.8 8.9 1.0 CG A:TRP268 4.9 15.5 1.0 CG B:ARG68 4.9 13.9 1.0 NE1 A:TRP268 4.9 19.2 1.0 O A:HOH1432 4.9 11.4 1.0 CB A:TRP268 4.9 12.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl920 b:13.4 occ:1.00 O B:HOH959 3.1 11.2 1.0 NH1 C:ARG68 3.1 15.1 1.0 NH1 B:ARG269 3.5 10.3 1.0 CD C:ARG68 3.7 14.8 1.0 O B:ASP267 3.9 8.4 1.0 CZ C:ARG68 4.1 16.6 1.0 NE C:ARG68 4.3 15.9 1.0 CZ B:ARG269 4.4 11.8 1.0 NH2 B:ARG269 4.4 12.1 1.0 CD1 B:TRP268 4.5 17.9 1.0 C B:ASP267 4.7 8.5 1.0 CB B:TRP268 4.8 11.6 1.0 O B:HOH963 4.9 11.4 1.0 CG C:ARG68 5.0 13.7 1.0

M.Goto, I.Miyahara, K.Hirotsu. Crystal Structure of T.Th.HB8 Branched-Chain Amino Acid Aminotransferase To Be Published.