Chlorine in PDB 5tao: Haloferax Volcanii Malate Synthase Lead(II) Complex

All present enzymatic activity of Haloferax Volcanii Malate Synthase Lead(II) Complex:
2.3.3.9;

The structure of Haloferax Volcanii Malate Synthase Lead(II) Complex, PDB code: 5tao was solved by B.R.Howard, M.J.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	96.81 / 2.10
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	155.353, 155.353, 139.412, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 21.7

The structure of Haloferax Volcanii Malate Synthase Lead(II) Complex also contains other interesting chemical elements:

Lead	(Pb)	4 atoms
Potassium	(K)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Haloferax Volcanii Malate Synthase Lead(II) Complex (pdb code 5tao). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Haloferax Volcanii Malate Synthase Lead(II) Complex, PDB code: 5tao:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Haloferax Volcanii Malate Synthase Lead(II) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Haloferax Volcanii Malate Synthase Lead(II) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:42.7 occ:1.00 O A:HOH790 2.9 65.3 1.0 O A:HOH813 2.9 56.2 1.0 O A:HOH800 3.2 41.0 0.5 O A:HOH745 3.3 38.0 0.5 NH2 A:ARG95 3.3 38.1 1.0 NH1 A:ARG95 3.4 34.1 1.0 O A:ARG89 3.5 39.7 1.0 C A:ASP90 3.8 37.5 1.0 CA A:ASP90 3.8 31.9 1.0 CD A:PRO92 3.9 30.3 1.0 CZ A:ARG95 3.9 29.9 1.0 CG A:PRO92 4.0 33.1 1.0 O A:ASP90 4.1 36.8 1.0 N A:SER91 4.2 38.8 1.0 C A:ARG89 4.4 32.5 1.0 N A:PRO92 4.5 30.3 1.0 N A:ASP90 4.5 30.4 1.0 O A:HOH662 4.6 34.1 1.0 CA A:SER91 4.9 34.3 1.0 C A:SER91 4.9 32.9 1.0

Chlorine binding site 2 out of 4 in the Haloferax Volcanii Malate Synthase Lead(II) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Haloferax Volcanii Malate Synthase Lead(II) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl513 b:44.7 occ:0.33 NH2 A:ARG218 3.5 35.5 1.0 O A:HOH671 3.6 37.8 1.0 NH1 A:ARG218 3.8 35.9 1.0 CZ A:ARG218 4.2 36.2 1.0 ND2 A:ASN215 4.4 30.8 1.0 OD1 A:ASN215 4.4 30.4 1.0 CG A:ASN215 4.7 31.8 1.0

Chlorine binding site 3 out of 4 in the Haloferax Volcanii Malate Synthase Lead(II) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Haloferax Volcanii Malate Synthase Lead(II) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl514 b:37.2 occ:1.00 O A:HOH685 3.1 29.1 1.0 O A:HOH714 3.1 72.4 1.0 K A:K510 3.2 37.0 1.0 N A:ALA227 3.2 27.4 1.0 O A:GLY252 3.7 31.1 1.0 CA A:VAL226 3.8 30.8 1.0 CB A:ALA227 4.0 29.1 1.0 C A:VAL226 4.0 28.8 1.0 O A:CYS225 4.0 33.1 1.0 O A:HOH601 4.1 39.5 0.5 O A:HOH634 4.2 63.3 1.0 CA A:ALA227 4.2 30.5 1.0 CB A:ALA220 4.2 30.9 1.0 CG1 A:VAL226 4.3 36.4 1.0 O A:ALA227 4.6 33.7 1.0 CB A:VAL226 4.6 32.5 1.0 OG A:SER221 4.7 32.3 0.5 N A:VAL226 4.8 32.3 1.0 C A:CYS225 4.9 32.1 1.0 C A:GLY252 4.9 32.1 1.0 C A:ALA227 4.9 32.3 1.0

Chlorine binding site 4 out of 4 in the Haloferax Volcanii Malate Synthase Lead(II) Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Haloferax Volcanii Malate Synthase Lead(II) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:40.0 occ:1.00 O A:HOH798 2.8 50.5 1.0 N A:GLY126 3.4 29.1 1.0 CA A:GLY125 3.7 30.5 1.0 C A:GLY125 4.0 31.8 1.0 CB A:ARG89 4.0 28.5 1.0 CD A:ARG89 4.2 30.7 1.0 O A:HOH838 4.2 48.6 1.0 CG A:ARG89 4.3 30.5 1.0 CA A:GLY126 4.4 30.2 1.0 CG A:GLU161 4.4 42.7 1.0 PB A:PB507 4.4 89.8 1.0 CB A:ASP129 4.6 31.1 1.0 CB A:GLU161 4.6 33.9 1.0 O A:HOH745 4.7 38.0 0.5 N A:GLY125 4.7 32.9 1.0 OE2 A:GLU161 4.8 59.5 1.0 O A:ARG89 4.9 39.7 1.0

M.J.Adams, B.R.Howard. X-Ray Analysis of Lead(II) Binding to Haloferax Volcanii Malate Synthase The Journal of the Utah V. 93 77 2016ACADEMY.
ISSN: ISSN 0083-4823