Chlorine in PDB 3uk2: The Structure of Pantothenate Synthetase From Burkholderia Thailandensis

All present enzymatic activity of The Structure of Pantothenate Synthetase From Burkholderia Thailandensis:
6.3.2.1;

The structure of The Structure of Pantothenate Synthetase From Burkholderia Thailandensis, PDB code: 3uk2 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.73 / 2.25
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	166.910, 166.910, 166.910, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.5

The binding sites of Chlorine atom in the The Structure of Pantothenate Synthetase From Burkholderia Thailandensis (pdb code 3uk2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of Pantothenate Synthetase From Burkholderia Thailandensis, PDB code: 3uk2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Structure of Pantothenate Synthetase From Burkholderia Thailandensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Pantothenate Synthetase From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl281 b:56.1 occ:1.00 NH1 A:ARG243 3.4 22.3 1.0 OE2 A:GLU278 3.6 24.8 1.0 CD A:ARG243 3.8 22.4 1.0 O A:HOH431 3.9 43.9 1.0 CZ A:ARG243 4.4 22.2 1.0 CD A:GLU278 4.5 24.6 1.0 NE A:ARG243 4.5 22.1 1.0 OH A:TYR148 4.6 19.5 1.0 O A:HOH433 4.6 40.6 1.0 NZ A:LYS145 4.7 23.2 1.0 OE1 A:GLU278 4.8 25.0 1.0 O A:HOH390 5.0 39.6 1.0 CG A:ARG243 5.0 22.4 1.0

Chlorine binding site 2 out of 4 in the The Structure of Pantothenate Synthetase From Burkholderia Thailandensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Pantothenate Synthetase From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl283 b:58.1 occ:1.00 OE2 A:GLU171 3.6 26.4 1.0 NZ A:LYS145 3.6 23.2 1.0 CG B:GLU171 3.9 23.4 1.0 O B:HOH340 4.0 44.2 1.0 OE1 A:GLU278 4.1 25.0 1.0 O A:HOH352 4.1 31.5 1.0 CD A:GLU171 4.4 24.5 1.0 OE2 B:GLU171 4.5 24.3 1.0 O A:HOH457 4.5 25.0 1.0 O B:HOH327 4.6 21.7 1.0 CD B:GLU171 4.6 23.7 1.0 OE1 A:GLU171 4.6 25.6 1.0 O A:HOH433 5.0 40.6 1.0

Chlorine binding site 3 out of 4 in the The Structure of Pantothenate Synthetase From Burkholderia Thailandensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Pantothenate Synthetase From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl286 b:43.0 occ:1.00 O A:HOH479 3.4 14.4 1.0 O A:HOH379 3.8 12.8 1.0 O A:HOH480 3.8 13.6 1.0 CG A:ARG69 4.0 24.1 1.0 CB A:ARG69 4.0 23.6 1.0 O A:HOH399 4.0 25.9 1.0 CB A:LEU71 4.4 18.5 1.0 CA A:ARG69 4.4 22.1 1.0 CG2 A:ILE51 4.5 14.8 1.0 CD A:ARG69 4.7 25.6 1.0 O A:HOH315 4.7 15.8 1.0 CD2 A:LEU71 4.8 18.0 1.0 CG2 A:VAL53 4.8 16.9 1.0 CD1 A:LEU71 4.9 17.2 1.0 CG A:LEU71 4.9 18.0 1.0 N A:THR70 4.9 20.7 1.0 C A:ARG69 4.9 22.0 1.0 NE A:ARG69 5.0 26.1 1.0 N A:LEU71 5.0 19.5 1.0

Chlorine binding site 4 out of 4 in the The Structure of Pantothenate Synthetase From Burkholderia Thailandensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Pantothenate Synthetase From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl281 b:64.3 occ:1.00 OE2 B:GLU278 3.4 25.0 1.0 NH1 B:ARG243 3.4 22.4 1.0 CD B:ARG243 4.0 22.6 1.0 O B:HOH337 4.1 32.0 1.0 CD B:GLU278 4.2 24.1 1.0 OE1 B:GLU278 4.4 23.8 1.0 NZ B:LYS145 4.5 22.5 1.0 CZ B:ARG243 4.5 22.0 1.0 OH B:TYR148 4.6 21.9 1.0 NE B:ARG243 4.7 22.0 1.0 O B:HOH397 4.9 30.3 1.0 CE B:LYS145 5.0 22.5 1.0

L.Baugh, L.A.Gallagher, R.Patrapuvich, M.C.Clifton, A.S.Gardberg, T.E.Edwards, B.Armour, D.W.Begley, S.H.Dieterich, D.M.Dranow, J.Abendroth, J.W.Fairman, D.Fox, B.L.Staker, I.Phan, A.Gillespie, R.Choi, S.Nakazawa-Hewitt, M.T.Nguyen, A.Napuli, L.Barrett, G.W.Buchko, R.Stacy, P.J.Myler, L.J.Stewart, C.Manoil, W.C.Van Voorhis. Combining Functional and Structural Genomics to Sample the Essential Burkholderia Structome. Plos One V. 8 53851 2013.
ISSN: ESSN 1932-6203
PubMed: 23382856
DOI: 10.1371/JOURNAL.PONE.0053851