Chlorine in PDB 3l5k: The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A)

The structure of The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A), PDB code: 3l5k was solved by E.Ugochukwu, K.Guo, S.Picaud, J.Muniz, C.Allerston, F.Von Delft, C.Bountra, C.H.Arrowsmith, J.Weigelt, A.Edwards, W.W.Yue, K.L.Kavanagh, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.60 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.190, 85.190, 103.030, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 21.3

The structure of The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) (pdb code 3l5k). 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 Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A), PDB code: 3l5k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl231 b:82.4 occ:1.00 NZ A:LYS46 2.6 34.3 1.0 CE A:LYS46 3.3 35.2 1.0 O A:TYR41 3.4 19.5 1.0 O A:HOH301 3.5 15.5 1.0 N A:TRP43 3.7 11.6 1.0 O A:HOH260 3.8 37.1 1.0 C A:SER42 3.9 8.8 1.0 CA A:SER42 4.0 13.8 1.0 CA A:TRP43 4.4 10.1 1.0 C A:TYR41 4.5 15.8 1.0 CD A:LYS46 4.6 48.0 1.0 O A:SER42 4.6 9.2 1.0 N A:SER42 4.8 9.1 1.0 CB A:TRP43 4.8 9.6 1.0 OG A:SER27 4.8 18.9 0.5 CE A:LYS40 4.8 62.4 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl232 b:54.8 occ:1.00 O A:HOH250 2.5 35.0 1.0 O A:HOH319 3.2 17.1 1.0 NH1 A:ARG116 3.3 46.1 1.0 OG A:SER119 3.5 21.2 1.0 N A:ARG116 3.6 8.8 1.0 CB A:SER119 4.0 18.9 1.0 CA A:SER115 4.0 18.7 1.0 CZ A:ARG116 4.1 59.1 1.0 CG A:ARG116 4.2 25.1 1.0 CB A:ARG116 4.2 12.0 1.0 O A:HOH261 4.2 34.5 1.0 C A:SER115 4.3 15.3 1.0 CA A:ARG116 4.5 12.2 1.0 CB A:SER115 4.6 24.1 1.0 NE A:ARG116 4.7 59.1 1.0 NH2 A:ARG116 4.8 47.2 1.0 O A:SER114 4.8 10.2 1.0 CD A:ARG116 4.8 25.7 1.0 OG A:SER115 4.9 19.5 1.0 O A:ARG116 5.0 9.3 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl233 b:65.8 occ:1.00 N A:GLY148 3.3 15.2 1.0 O A:HOH348 3.5 22.2 1.0 CA A:HIS147 4.1 18.1 1.0 CA A:GLY148 4.1 12.6 1.0 C A:HIS147 4.2 10.9 1.0 NZ A:LYS53 4.2 43.4 1.0 ND1 A:HIS147 4.3 16.8 1.0 CB A:HIS147 4.5 23.3 1.0 CE A:LYS53 4.7 41.7 1.0 O A:GLN146 4.9 18.5 1.0 C A:GLY148 4.9 9.4 1.0 O A:GLY148 4.9 12.5 1.0 CG A:HIS147 4.9 23.2 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl234 b:70.5 occ:1.00 N A:ALA54 3.6 15.1 1.0 CB A:ALA54 3.9 14.4 1.0 O A:HOH369 4.0 18.8 1.0 CB A:LYS53 4.1 19.1 1.0 CA A:LYS53 4.2 19.3 1.0 CA A:ALA54 4.4 19.9 1.0 C A:LYS53 4.4 19.9 1.0 CG A:LYS53 4.5 34.5 1.0 NH1 A:ARG116 4.6 46.1 1.0

E.Ugochukwu, K.Guo, S.Picaud, J.Muniz, C.Allerston, F.Von Delft, C.Bountra, C.H.Arrowsmith, J.Weigelt, A.Edwards, W.W.Yue, K.L.Kavanagh, U.Oppermann, Structural Genomics Consortium (Sgc). The Crystal Structure of Human Haloacid Dehalogenase-Like Hydrolase Domain Containing 1A (HDHD1A) To Be Published.