Chlorine in PDB 2yn4: L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium

The structure of L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium, PDB code: 2yn4 was solved by H.R.Novak, C.Sayer, M.N.Isupov, K.Paszkiewicz, D.Gotz, A.M.Spragg, J.A.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.35 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.670, 68.580, 157.980, 90.00, 90.00, 90.00
R / Rfree (%)	16.235 / 20.268

The binding sites of Chlorine atom in the L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium (pdb code 2yn4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium, PDB code: 2yn4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1237 b:33.2 occ:0.60 CL2 A:39J1237 0.0 33.2 0.6 C2 A:39J1237 1.8 35.0 0.6 C1 A:39J1237 2.7 25.9 0.6 C3 A:39J1237 2.7 23.8 0.6 O2 A:39J1237 3.0 30.8 0.6 O A:HOH2003 3.0 11.0 0.4 C4 A:39J1237 3.1 33.9 0.6 ND2 A:ASN125 3.3 17.8 1.0 CZ A:PHE66 3.5 19.4 1.0 CB A:ASN125 3.7 16.3 1.0 O1 A:39J1237 3.8 28.1 0.6 CE2 A:PHE66 3.8 19.6 1.0 ND2 A:ASN20 3.8 19.1 0.5 CG A:ASN125 3.9 21.9 1.0 CH2 A:TRP185 4.0 13.9 0.7 O A:HOH2004 4.0 14.2 0.4 CD1 A:ILE51 4.1 13.7 1.0 CE1 A:PHE66 4.3 16.2 1.0 OD1 A:ASP18 4.6 18.0 1.0 CZ2 A:TRP185 4.6 13.8 0.7 CB A:ASN20 4.6 16.0 0.5 N A:ASN125 4.6 18.0 1.0 CZ A:PHE47 4.7 15.2 1.0 CD2 A:PHE66 4.7 17.3 1.0 CG A:ASN20 4.7 17.6 0.5 CA A:ASN125 4.8 17.5 1.0 CB A:ASN20 4.8 18.6 0.5 CZ2 A:TRP185 4.9 14.0 0.3 CZ3 A:TRP185 5.0 15.8 0.7

Chlorine binding site 2 out of 2 in the L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of L-2-Chlorobutryic Acid Bound Complex L-Haloacid Dehalogenase From A Rhodobacteraceae Family Bacterium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1237 b:29.1 occ:0.60 CL2 B:39J1237 0.0 29.1 0.6 C2 B:39J1237 1.7 35.3 0.6 C3 B:39J1237 2.6 22.5 0.6 C1 B:39J1237 2.7 19.4 0.6 C4 B:39J1237 3.0 36.3 0.6 O2 B:39J1237 3.1 23.9 0.6 O B:HOH2004 3.2 6.0 0.4 CZ B:PHE66 3.4 14.5 1.0 ND2 B:ASN125 3.5 15.1 1.0 CE2 B:PHE66 3.5 19.7 1.0 ND2 B:ASN20 3.6 23.9 1.0 O1 B:39J1237 3.7 29.4 0.6 CB B:ASN125 3.7 12.6 1.0 O B:HOH2003 3.8 5.6 0.4 CG B:ASN125 4.0 13.0 1.0 CD1 B:ILE51 4.2 9.5 1.0 CH2 B:TRP185 4.3 16.9 1.0 CE1 B:PHE66 4.3 14.9 1.0 CB B:ASN20 4.4 19.7 1.0 CD2 B:PHE66 4.5 17.4 1.0 CG B:ASN20 4.5 26.4 1.0 CZ B:PHE47 4.6 16.8 1.0 OD1 B:ASP18 4.7 19.0 1.0 N B:ASN125 4.7 11.4 1.0 CA B:ASN125 4.8 11.3 1.0 CE1 B:PHE47 4.9 17.0 1.0 CZ2 B:TRP185 4.9 17.5 1.0

H.R.Novak, C.Sayer, M.N.Isupov, K.Paszkiewicz, D.Gotz, A.Mearns Spragg, J.A.Littlechild. Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains A Novel His/Glu Dyad That Could Activate the Catalytic Water. Febs J. V. 280 1664 2013.
ISSN: ISSN 1742-464X
PubMed: 23384397
DOI: 10.1111/FEBS.12177