Chlorine in PDB 9bps: Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M

All present enzymatic activity of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M:
2.7.7.7;

The structure of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M, PDB code: 9bps was solved by A.R.Ung, R.B.Honzatko, S.W.Nelson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.44 / 2.80
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	144.931, 144.931, 166.383, 90, 90, 120
R / Rfree (%)	23.1 / 25.3

The structure of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M (pdb code 9bps). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M, PDB code: 9bps:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:68.7 occ:1.00 HD21 A:ASN234 2.6 100.4 1.0 HZ3 A:LYS531 3.0 94.1 1.0 HZ2 A:LYS531 3.1 94.1 1.0 HD22 A:ASN529 3.2 75.6 1.0 HE2 A:LYS531 3.2 83.5 1.0 HB2 A:ASN234 3.3 90.1 1.0 NZ A:LYS531 3.4 77.8 1.0 ND2 A:ASN234 3.5 83.0 1.0 HD22 B:ASN433 3.7 114.4 1.0 CE A:LYS531 3.8 68.9 1.0 OD1 A:ASN529 3.9 50.3 1.0 ND2 A:ASN529 3.9 62.3 1.0 HD22 A:ASN234 3.9 100.4 1.0 CB A:ASN234 4.1 74.4 1.0 OD1 B:ASN433 4.1 73.0 1.0 HZ1 A:LYS531 4.2 94.1 1.0 O A:GLU233 4.2 63.5 1.0 CG A:ASN234 4.3 78.7 1.0 CG A:ASN529 4.3 53.2 1.0 ND2 B:ASN433 4.3 94.7 1.0 HE3 A:LYS531 4.4 83.5 1.0 HB3 A:ASN234 4.4 90.1 1.0 HD21 A:ASN529 4.6 75.6 1.0 CG B:ASN433 4.6 72.6 1.0 HD3 A:LYS531 4.7 82.9 1.0 CD A:LYS531 4.9 68.4 1.0

Chlorine binding site 2 out of 4 in the Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:66.2 occ:1.00 HD1 A:HIS236 2.3 86.2 1.0 HZ2 A:LYS227 2.3 88.5 1.0 HD22 A:ASN239 2.9 70.0 1.0 HE2 A:PHE158 3.1 74.7 1.0 NZ A:LYS227 3.1 73.1 1.0 HZ1 A:LYS227 3.1 88.5 1.0 ND1 A:HIS236 3.2 71.2 1.0 HA A:HIS236 3.5 66.8 1.0 HG3 A:LYS227 3.5 87.0 1.0 HG21 A:ILE230 3.6 63.9 1.0 HZ3 A:LYS227 3.6 88.5 1.0 HG22 A:ILE230 3.6 63.9 1.0 ND2 A:ASN239 3.7 57.7 1.0 HB3 A:ASN239 3.9 66.1 1.0 HE1 A:HIS236 4.0 90.3 1.0 HD21 A:ASN239 4.0 70.0 1.0 CE2 A:PHE158 4.0 61.6 1.0 CE1 A:HIS236 4.0 74.6 1.0 HB2 A:HIS236 4.0 73.6 1.0 CG2 A:ILE230 4.0 52.5 1.0 HE3 A:LYS227 4.1 106.0 1.0 CE A:LYS227 4.2 87.7 1.0 CG A:HIS236 4.2 67.6 1.0 CA A:HIS236 4.3 55.0 1.0 CB A:HIS236 4.4 60.6 1.0 HD2 A:PHE158 4.4 76.3 1.0 HB2 A:ASP240 4.5 90.8 1.0 CG A:LYS227 4.5 71.9 1.0 HB A:ILE230 4.5 70.3 1.0 O A:HIS236 4.6 59.7 1.0 HA A:LYS227 4.7 78.0 1.0 CD2 A:PHE158 4.7 62.9 1.0 CG A:ASN239 4.7 53.8 1.0 CB A:ASN239 4.7 54.5 1.0 CD A:LYS227 4.7 78.5 1.0 HD2 A:LYS227 4.8 95.0 1.0 HG23 A:ILE230 4.8 63.9 1.0 CB A:ILE230 4.8 57.9 1.0 HG2 A:LYS227 4.9 87.0 1.0 HZ A:PHE158 4.9 73.1 1.0 HG13 A:ILE230 5.0 70.5 1.0 HE2 A:LYS227 5.0 106.0 1.0 C A:HIS236 5.0 56.8 1.0 CZ A:PHE158 5.0 60.3 1.0

Chlorine binding site 3 out of 4 in the Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl703 b:71.6 occ:1.00 HZ3 B:LYS531 2.5 118.0 1.0 HD21 A:ASN433 2.8 94.1 1.0 HB2 B:ASN234 3.1 89.2 1.0 HE2 B:LYS531 3.2 98.9 1.0 NZ B:LYS531 3.2 97.6 1.0 HD22 B:ASN234 3.2 110.3 1.0 H32 B:PEG701 3.3 131.3 1.0 HZ2 B:LYS531 3.4 118.0 1.0 HD22 B:ASN529 3.5 93.2 1.0 H31 B:PEG701 3.5 131.3 1.0 ND2 B:ASN234 3.6 91.3 1.0 OD1 B:ASN529 3.6 72.0 1.0 CE B:LYS531 3.6 81.7 1.0 ND2 A:ASN433 3.7 77.7 1.0 HE3 B:LYS531 3.8 98.9 1.0 CB B:ASN234 3.8 73.7 1.0 C3 B:PEG701 3.9 108.8 1.0 CG B:ASN234 3.9 77.0 1.0 HZ1 B:LYS531 3.9 118.0 1.0 HD21 B:ASN234 4.0 110.3 1.0 HD22 A:ASN433 4.1 94.1 1.0 ND2 B:ASN529 4.1 77.0 1.0 O B:GLU233 4.1 69.1 1.0 HB3 B:ASN234 4.2 89.2 1.0 CG B:ASN529 4.3 70.2 1.0 OD1 A:ASN433 4.5 67.7 1.0 CG A:ASN433 4.5 69.2 1.0 OD1 B:ASN234 4.8 68.2 1.0 H42 B:PEG701 4.8 118.8 1.0 O2 B:PEG701 4.8 105.8 1.0 C B:GLU233 4.8 67.5 1.0 HD21 B:ASN529 4.9 93.2 1.0 C4 B:PEG701 4.9 98.3 1.0 CD B:LYS531 5.0 71.5 1.0

Chlorine binding site 4 out of 4 in the Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Plasmodium Falciparum Apicoplast Dna Polymerase Mutant - K417M within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:65.4 occ:1.00 HD1 B:HIS236 2.5 84.8 1.0 HD22 B:ASN239 2.5 64.6 1.0 HE2 B:PHE158 3.1 75.0 1.0 ND1 B:HIS236 3.2 70.0 1.0 HZ2 B:LYS227 3.3 126.5 1.0 ND2 B:ASN239 3.3 53.2 1.0 HG21 B:ILE230 3.4 66.0 1.0 HE3 B:LYS227 3.5 127.7 1.0 HA B:HIS236 3.5 69.2 1.0 HD21 B:ASN239 3.6 64.6 1.0 HG22 B:ILE230 3.7 66.0 1.0 HE1 B:HIS236 3.7 92.4 1.0 HB3 B:ASN239 3.8 62.6 1.0 CE1 B:HIS236 3.8 76.3 1.0 NZ B:LYS227 3.9 104.7 1.0 CE2 B:PHE158 4.0 61.9 1.0 CG2 B:ILE230 4.0 54.4 1.0 HZ1 B:LYS227 4.0 126.5 1.0 HD2 B:LYS227 4.1 110.0 1.0 CE B:LYS227 4.1 105.8 1.0 CG B:HIS236 4.2 67.1 1.0 HD2 B:PHE158 4.2 73.4 1.0 CA B:HIS236 4.4 57.0 1.0 CG B:ASN239 4.4 52.0 1.0 HG3 B:LYS227 4.4 101.1 1.0 HB2 B:HIS236 4.4 66.8 1.0 O B:HIS236 4.4 60.1 1.0 HB2 B:ASP240 4.4 85.2 1.0 CB B:ASN239 4.5 51.5 1.0 HB B:ILE230 4.5 67.1 1.0 CB B:HIS236 4.6 55.0 1.0 CD B:LYS227 4.6 91.0 1.0 CD2 B:PHE158 4.6 60.5 1.0 HZ3 B:LYS227 4.7 126.5 1.0 HG13 B:ILE230 4.7 69.8 1.0 HG23 B:ILE230 4.7 66.0 1.0 CB B:ILE230 4.8 55.3 1.0 HA B:LYS227 4.9 80.5 1.0 C B:HIS236 4.9 57.3 1.0 NE2 B:HIS236 4.9 73.4 1.0 HD22 B:ASN243 5.0 71.4 1.0 HE2 B:LYS227 5.0 127.7 1.0

A.R.Ung, R.B.Honzatko, S.W.Nelson. Investigation of the Structure and Mechanism of the Apicoplast Dna Polymerase From Plasmodium Falciparum To Be Published.