Chlorine in PDB 8rqd: Crystal Structure of Human DNPH1 Mutant-Y24F

The structure of Crystal Structure of Human DNPH1 Mutant-Y24F, PDB code: 8rqd was solved by S.Devi, R.G.Da Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.42 / 2.14
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	139.907, 139.907, 33.313, 90, 90, 120
R / Rfree (%)	17.9 / 23.7

The binding sites of Chlorine atom in the Crystal Structure of Human DNPH1 Mutant-Y24F (pdb code 8rqd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human DNPH1 Mutant-Y24F, PDB code: 8rqd:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human DNPH1 Mutant-Y24F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human DNPH1 Mutant-Y24F within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:41.6 occ:1.00 O A:HOH313 2.7 26.5 1.0 O C:HOH310 3.1 34.8 1.0 N C:LEU99 3.1 19.1 1.0 CB A:PRO97 3.5 34.8 1.0 CB C:LEU99 3.7 26.0 1.0 CA C:SER98 3.8 20.4 1.0 CG A:PRO97 3.9 34.9 1.0 CA C:LEU99 3.9 23.5 1.0 C C:SER98 3.9 18.8 1.0 CA A:PRO97 4.0 32.2 1.0 CG C:LEU99 4.0 28.6 1.0 CB A:SER128 4.1 30.2 1.0 OG C:SER98 4.2 23.0 1.0 N C:GLY100 4.4 20.7 1.0 CD1 C:LEU99 4.4 30.4 1.0 CB C:SER98 4.5 21.4 1.0 O A:HOH302 4.6 33.6 1.0 C C:LEU99 4.7 20.9 1.0 O C:PRO97 4.8 27.6 1.0 N A:SER128 4.8 28.3 1.0 CA A:SER128 4.8 28.5 1.0 N C:SER98 4.9 22.5 1.0 N A:PRO97 4.9 31.6 1.0 OG A:SER128 4.9 30.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human DNPH1 Mutant-Y24F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human DNPH1 Mutant-Y24F within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:44.0 occ:1.00 CA C:GLN141 3.4 24.0 1.0 N C:VAL142 3.4 24.3 1.0 CA C:GLY137 3.7 46.2 1.0 N C:GLY137 3.7 49.5 1.0 CB C:ALA135 3.7 27.3 1.0 CB C:GLN141 3.8 25.4 1.0 O C:PHE140 3.9 28.4 1.0 C C:GLN141 3.9 25.9 1.0 CG C:GLN141 4.2 26.4 1.0 O C:VAL142 4.3 24.2 1.0 N C:GLN141 4.4 23.3 1.0 CA C:ALA135 4.5 28.4 1.0 CA C:VAL142 4.6 25.1 1.0 C C:PHE140 4.6 24.4 1.0 N C:ASP136 4.7 35.8 1.0 C C:VAL142 4.7 25.0 1.0 C C:ALA135 4.8 31.3 1.0 C C:ASP136 4.9 41.2 1.0 C C:GLY137 5.0 41.5 1.0 CB C:VAL142 5.0 25.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human DNPH1 Mutant-Y24F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human DNPH1 Mutant-Y24F within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:26.5 occ:1.00 NH1 C:ARG33 3.2 25.8 1.0 NH2 C:ARG33 3.4 28.7 1.0 CZ C:ARG33 3.7 28.0 1.0 NE C:ARG33 5.0 29.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human DNPH1 Mutant-Y24F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human DNPH1 Mutant-Y24F within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:48.8 occ:1.00 O A:HOH305 3.1 31.8 1.0 CG A:GLU146 3.5 53.6 1.0 O A:TYR145 4.0 27.5 1.0 CD A:PRO121 4.0 33.4 1.0 CG A:PRO121 4.1 35.4 1.0 C A:TYR145 4.1 28.5 1.0 OE1 A:GLN122 4.2 35.1 1.0 CD A:GLU146 4.3 61.5 1.0 N A:GLU146 4.3 32.1 1.0 OE2 A:GLU146 4.5 68.9 1.0 CB A:PRO121 4.6 33.2 1.0 CA A:TYR145 4.6 28.6 1.0 CB A:GLU146 4.7 44.9 1.0 N A:TYR145 4.7 30.1 1.0 OE2 A:GLU149 4.7 46.9 1.0 CA A:GLU146 4.8 38.4 1.0 C A:ASP144 4.9 31.4 1.0 O A:ASP144 4.9 33.6 1.0

A.E.Carberry, S.Devi, D.J.Harrison, R.G.Da Silva. Human 2'-Deoxynucleoside 5'-Phosphate N-Hydrolase 1: the Catalytic Roles of TYR24 and ASP80. Chembiochem V. 25 00047 2024.
ISSN: ESSN 1439-7633
PubMed: 38350003
DOI: 10.1002/CBIC.202400047