Chlorine in PDB 4f3y: X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis

All present enzymatic activity of X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis:
1.3.1.26;

The structure of X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis, PDB code: 4f3y was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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)	50.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.740, 158.370, 70.440, 90.00, 130.00, 90.00
R / Rfree (%)	19 / 23.7

The structure of X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis (pdb code 4f3y). 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 Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis, PDB code: 4f3y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of Dihydrodipicolinate Reductase 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 X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:35.2 occ:1.00 O A:HOH459 3.1 40.0 1.0 O A:HOH555 3.2 28.5 1.0 NE A:ARG191 3.2 29.9 1.0 NH2 A:ARG191 3.2 27.4 1.0 CZ A:ARG191 3.6 27.8 1.0 CG A:ARG198 3.9 29.5 1.0 CG2 A:THR202 4.2 31.3 1.0 CD A:ARG191 4.3 31.1 1.0 CG1 A:VAL188 4.4 33.6 1.0 CB A:ARG198 4.5 30.4 1.0 CA A:ARG198 4.5 33.3 1.0 CG2 A:VAL188 4.5 35.2 1.0 OG1 A:THR202 4.6 34.1 1.0 CB A:VAL188 4.6 34.0 1.0 CB A:THR202 4.7 32.4 1.0 CG A:ARG191 4.8 33.8 1.0 NH1 A:ARG191 5.0 24.9 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of Dihydrodipicolinate Reductase 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 X-Ray Crystal Structure of Dihydrodipicolinate Reductase From Burkholderia Thailandensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:39.3 occ:1.00 O B:HOH501 3.1 37.1 1.0 N B:GLY10 3.2 27.4 1.0 CE1 B:HIS85 3.6 41.6 1.0 CA B:ASP36 3.7 37.3 1.0 CA B:GLY10 3.7 28.1 1.0 O B:LEU35 3.8 30.0 1.0 C B:ASP36 3.8 38.6 1.0 NE2 B:HIS85 4.0 43.4 1.0 N B:ARG37 4.0 40.2 1.0 N B:ASP36 4.0 33.7 1.0 C B:LEU35 4.0 31.1 1.0 C B:ALA9 4.2 25.5 1.0 CB B:ALA9 4.2 25.4 1.0 O B:ASP36 4.4 38.1 1.0 CG B:LEU35 4.4 34.8 1.0 CG2 B:THR77 4.4 37.5 1.0 CA B:ALA9 4.4 24.6 1.0 OD1 B:ASP36 4.6 46.9 1.0 CG B:ARG37 4.7 47.1 1.0 CB B:LEU35 4.7 30.4 1.0 CA B:ARG37 4.8 42.4 1.0 ND1 B:HIS85 4.9 40.7 1.0 CB B:ASP36 5.0 40.2 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