Chlorine in PDB 6gkr: Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form)

All present enzymatic activity of Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form):
2.6.1.42;

The structure of Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form), PDB code: 6gkr was solved by K.M.Boyko, E.Y.Bezsudnova, A.Y.Nikolaeva, Y.S.Zeifman, T.V.Rakitina, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.01 / 2.19
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	102.509, 146.610, 119.570, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form) (pdb code 6gkr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form), PDB code: 6gkr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form)


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 Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:42.3 occ:1.00 N A:HIS261 3.2 25.2 1.0 OH A:TYR101 3.3 28.8 1.0 CB A:HIS261 3.4 24.0 1.0 O A:HOH622 3.5 25.8 1.0 C4A A:PLP401 3.7 46.5 1.0 O1P A:PLP401 3.7 23.4 1.0 CB A:THR260 3.7 21.0 1.0 N A:THR260 3.7 21.2 1.0 CA A:HIS261 3.9 24.2 1.0 O A:HOH555 4.0 25.8 1.0 CA A:THR260 4.0 22.8 1.0 CE1 A:TYR101 4.1 22.8 1.0 C A:THR260 4.1 25.1 1.0 CZ A:TYR101 4.1 26.3 1.0 O A:HOH655 4.2 44.0 1.0 NZ A:LYS161 4.3 44.9 1.0 CA A:GLY41 4.4 23.2 1.0 OG1 A:THR260 4.6 19.1 1.0 CG2 A:THR260 4.7 21.1 1.0 C A:GLY259 4.7 24.8 1.0 CG A:HIS261 4.8 25.9 1.0 C4 A:PLP401 4.8 39.9 1.0 O A:GLY41 5.0 24.1 1.0 CE A:LYS161 5.0 36.6 1.0 C A:GLY41 5.0 26.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form)


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 Branched-Chain Amino Acid Aminotransferase From Thermobaculum Terrenum in Plp-Form (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:38.0 occ:1.00 N B:HIS261 3.2 25.2 1.0 OH B:TYR101 3.2 25.6 1.0 O B:HOH620 3.4 26.2 1.0 CB B:HIS261 3.5 25.3 1.0 C4A B:PLP401 3.5 37.8 1.0 CB B:THR260 3.8 24.9 1.0 N B:THR260 3.8 26.2 1.0 O1P B:PLP401 3.9 25.0 1.0 CA B:HIS261 3.9 25.7 1.0 CE1 B:TYR101 4.0 27.5 1.0 CZ B:TYR101 4.0 29.1 1.0 O B:HOH551 4.0 23.4 1.0 CA B:THR260 4.1 27.1 1.0 C B:THR260 4.1 27.2 1.0 NZ B:LYS161 4.2 42.3 1.0 CA B:GLY41 4.5 25.2 1.0 OG1 B:THR260 4.6 23.0 1.0 C B:GLY259 4.7 27.4 1.0 C4 B:PLP401 4.8 33.4 1.0 CG2 B:THR260 4.8 20.8 1.0 CG B:HIS261 4.8 29.5 1.0 CE B:LYS161 4.9 29.9 1.0 O B:GLY198 4.9 25.3 1.0 O B:GLY41 5.0 23.6 1.0

E.Y.Bezsudnova, K.M.Boyko, A.Y.Nikolaeva, Y.S.Zeifman, T.V.Rakitina, D.A.Suplatov, V.O.Popov. Biochemical and Structural Insights Into Plp Fold Type IV Transaminase From Thermobaculum Terrenum. Biochimie V. 158 130 2018.
ISSN: ISSN 1638-6183
PubMed: 30599183
DOI: 10.1016/J.BIOCHI.2018.12.017