Chlorine in PDB 3i7r: Dihydrodipicolinate Synthase - K161R

All present enzymatic activity of Dihydrodipicolinate Synthase - K161R:
4.2.1.52;

The structure of Dihydrodipicolinate Synthase - K161R, PDB code: 3i7r was solved by R.C.J.Dobson, G.B.Jameson, J.A.Gerrard, T.P.Soares Da Costa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.92 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.435, 121.435, 111.037, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 23

The structure of Dihydrodipicolinate Synthase - K161R also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Chlorine atom in the Dihydrodipicolinate Synthase - K161R (pdb code 3i7r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dihydrodipicolinate Synthase - K161R, PDB code: 3i7r:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dihydrodipicolinate Synthase - K161R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dihydrodipicolinate Synthase - K161R within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl299 b:48.4 occ:1.00 OG1 A:THR45 2.9 24.2 1.0 NH2 A:ARG161 3.0 26.2 1.0 NH1 A:ARG161 3.2 27.0 1.0 N A:THR45 3.3 24.9 1.0 CB A:ALA8 3.4 21.7 1.0 CZ A:ARG161 3.6 26.3 1.0 CB A:THR45 3.7 24.2 1.0 N A:THR44 3.8 26.5 1.0 CB A:THR44 3.8 27.7 1.0 OG1 A:THR44 4.1 30.3 1.0 CA A:THR45 4.1 23.9 1.0 CA A:THR44 4.1 26.9 1.0 C A:THR44 4.2 26.0 1.0 OH A:TYR133 4.4 31.5 1.0 C A:GLY43 4.5 26.3 1.0 O A:HOH431 4.7 44.3 1.0 CA A:ALA8 4.8 21.6 1.0 CA A:GLY43 4.8 25.4 1.0 CG2 A:VAL205 4.9 22.0 1.0 NE A:ARG161 4.9 23.5 1.0 ND2 A:ASN248 4.9 21.4 1.0

Chlorine binding site 2 out of 2 in the Dihydrodipicolinate Synthase - K161R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dihydrodipicolinate Synthase - K161R within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl297 b:48.7 occ:1.00 OG1 B:THR45 2.8 21.9 1.0 N B:THR45 3.2 21.8 1.0 NH2 B:ARG161 3.2 26.7 1.0 NH1 B:ARG161 3.2 26.4 1.0 N B:THR44 3.5 22.4 1.0 CB B:ALA8 3.5 18.9 1.0 CB B:THR44 3.5 23.3 1.0 CB B:THR45 3.6 21.2 1.0 CZ B:ARG161 3.7 28.1 1.0 CA B:THR44 3.9 23.3 1.0 CA B:THR45 4.0 21.4 1.0 C B:THR44 4.0 22.5 1.0 OG1 B:THR44 4.0 26.0 1.0 C B:GLY43 4.2 22.5 1.0 O B:HOH463 4.5 39.4 1.0 CA B:GLY43 4.5 22.5 1.0 OH B:TYR133 4.6 28.5 1.0 CG2 B:THR44 4.7 23.8 1.0 CA B:ALA8 4.8 18.9 1.0 ND2 B:ASN248 5.0 18.2 1.0 CG2 B:THR45 5.0 20.8 1.0

T.P.Soares Da Costa, A.C.Muscroft-Taylor, R.C.Dobson, S.R.Devenish, G.B.Jameson, J.A.Gerrard. How Essential Is the 'Essential' Active-Site Lysine in Dihydrodipicolinate Synthase? Biochimie V. 92 837 2010.
ISSN: ISSN 0300-9084
PubMed: 20353808
DOI: 10.1016/J.BIOCHI.2010.03.004