Chlorine in PDB 6cc2: Crystal Structure of CDC45 From Entamoeba Histolytica

The structure of Crystal Structure of CDC45 From Entamoeba Histolytica, PDB code: 6cc2 was solved by K.Shi, F.Kurniawan, K.Kurahashi, A.Bielinsky, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.09 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.120, 73.810, 171.600, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.1

The binding sites of Chlorine atom in the Crystal Structure of CDC45 From Entamoeba Histolytica (pdb code 6cc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of CDC45 From Entamoeba Histolytica, PDB code: 6cc2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of CDC45 From Entamoeba Histolytica


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 CDC45 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl613 b:83.2 occ:1.00 O A:HOH744 3.5 29.6 1.0 HE2 A:TYR212 3.6 25.8 1.0 CE2 A:TYR212 3.8 21.5 1.0 O A:HOH737 3.9 29.9 1.0 O A:HOH936 3.9 25.5 1.0 HD23 A:LEU215 3.9 28.0 1.0 HA A:ILE213 3.9 19.1 1.0 HD21 A:LEU215 4.1 28.0 1.0 CZ A:TYR212 4.1 21.4 1.0 O A:TYR212 4.1 17.4 1.0 O A:HOH1083 4.2 44.0 1.0 CD2 A:TYR212 4.3 21.4 1.0 OH A:TYR212 4.3 22.4 1.0 CD2 A:LEU215 4.4 23.4 1.0 HD2 A:TYR212 4.4 25.7 1.0 HH22 A:ARG460 4.5 33.3 1.0 O A:HOH896 4.6 50.5 1.0 HD22 A:LEU215 4.6 28.0 1.0 O A:HOH1086 4.6 27.2 1.0 OE1 A:GLU276 4.6 81.0 1.0 O A:HOH796 4.7 20.0 1.0 O A:HOH750 4.7 27.1 1.0 HH A:TYR212 4.7 26.9 1.0 CE1 A:TYR212 4.8 18.4 1.0 HB2 A:GLU276 4.8 39.2 1.0 CA A:ILE213 4.8 15.9 1.0 O A:HOH845 4.9 39.4 1.0 C A:TYR212 4.9 15.7 1.0 HH21 A:ARG460 4.9 33.3 1.0 O A:ILE213 4.9 17.9 1.0 NH2 A:ARG460 4.9 27.8 1.0 CG A:TYR212 5.0 19.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of CDC45 From Entamoeba Histolytica


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 CDC45 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl614 b:74.8 occ:1.00 HD22 A:ASN406 2.5 42.1 0.6 HZ2 A:LYS446 3.1 76.4 1.0 HA A:SER403 3.2 25.2 0.5 HA A:SER403 3.2 25.2 0.5 ND2 A:ASN406 3.3 35.1 0.6 HB3 A:ASN406 3.4 29.7 0.6 HG A:SER403 3.5 34.1 0.5 HB2 A:SER403 3.5 26.9 0.5 HG A:LEU407 3.6 29.0 1.0 HB2 A:ASN406 3.6 29.9 0.4 HD2 A:LYS446 3.6 51.0 1.0 HZ3 A:LYS446 3.6 76.4 1.0 HD22 A:ASN406 3.7 36.2 0.4 HD21 A:ASN406 3.8 42.1 0.6 NZ A:LYS446 3.8 63.6 1.0 HB3 A:SER403 3.8 26.8 0.5 OD1 A:ASP368 3.8 29.1 1.0 OE1 A:GLN449 3.9 26.0 1.0 HD21 A:LEU407 4.0 31.4 1.0 CA A:SER403 4.0 21.0 0.5 CA A:SER403 4.1 21.0 0.5 CB A:SER403 4.1 22.4 0.5 HE22 A:GLN449 4.1 28.5 1.0 HD3 A:LYS446 4.2 51.0 1.0 OG A:SER403 4.2 28.4 0.5 HB3 A:ASN406 4.2 29.9 0.4 CB A:SER403 4.2 22.3 0.5 HB3 A:SER403 4.2 26.9 0.5 HE1 A:PHE441 4.2 31.6 1.0 CB A:ASN406 4.2 24.8 0.6 O A:SER403 4.3 18.9 0.5 CD A:LYS446 4.3 42.5 1.0 CG A:ASN406 4.3 33.6 0.6 O A:SER403 4.3 19.4 0.5 CB A:ASN406 4.3 24.9 0.4 HD11 A:LEU407 4.3 31.7 1.0 CD A:GLN449 4.3 24.0 1.0 CG A:LEU407 4.4 24.2 1.0 NE2 A:GLN449 4.4 23.7 1.0 HZ1 A:LYS446 4.4 76.4 1.0 HD23 A:LEU407 4.4 31.4 1.0 CD2 A:LEU407 4.5 26.1 1.0 ND2 A:ASN406 4.5 30.2 0.4 HB2 A:ASN406 4.5 29.7 0.6 CE A:LYS446 4.6 56.0 1.0 C A:SER403 4.6 19.0 0.5 C A:SER403 4.7 18.9 0.5 HB2 A:GLN449 4.7 22.1 1.0 CG A:ASP368 4.7 33.2 1.0 O A:HOH707 4.8 47.5 1.0 HB3 A:GLN449 4.8 22.1 1.0 CD1 A:LEU407 4.8 26.4 1.0 HZ A:PHE441 4.8 34.3 1.0 OD2 A:ASP368 4.9 34.2 1.0 CE1 A:PHE441 4.9 26.4 1.0 O A:HOH762 5.0 27.5 1.0 H A:LEU407 5.0 24.2 1.0 HE3 A:LYS446 5.0 67.2 1.0 HE21 A:GLN449 5.0 28.5 1.0 CG A:ASN406 5.0 26.8 0.4

Chlorine binding site 3 out of 3 in the Crystal Structure of CDC45 From Entamoeba Histolytica


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 CDC45 From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl615 b:78.8 occ:1.00 O A:HOH993 3.1 51.4 1.0 HG2 A:LYS220 3.3 58.3 1.0 OD1 A:ASN336 3.5 42.8 1.0 HG3 A:LYS220 3.5 58.3 1.0 HA A:LYS220 3.7 26.1 1.0 HB3 A:ALA219 3.8 25.4 1.0 HB1 A:ALA219 3.8 25.4 1.0 O A:HOH1098 3.8 48.0 1.0 O A:HOH809 3.9 52.1 1.0 CG A:LYS220 3.9 48.6 1.0 HG21 A:VAL223 3.9 24.5 1.0 HD21 A:LEU339 4.1 33.6 1.0 CB A:ALA219 4.2 21.1 1.0 N A:LYS220 4.3 19.8 1.0 CA A:LYS220 4.4 21.7 1.0 C A:ALA219 4.4 20.2 1.0 H A:LYS220 4.5 23.7 1.0 CG A:ASN336 4.5 38.3 1.0 HD22 A:LEU339 4.5 33.6 1.0 HD23 A:LEU339 4.5 33.6 1.0 O A:ALA219 4.6 19.4 1.0 CD2 A:LEU339 4.6 28.0 1.0 HD21 A:ASN336 4.6 45.6 1.0 HG23 A:VAL223 4.7 24.5 1.0 CG2 A:VAL223 4.7 20.4 1.0 CB A:LYS220 4.8 27.8 1.0 HD3 A:LYS220 4.8 82.6 1.0 HB A:VAL223 4.8 25.8 1.0 O A:HOH1000 4.9 30.5 1.0 ND2 A:ASN336 4.9 38.0 1.0 CD A:LYS220 5.0 68.9 1.0 CA A:ALA219 5.0 20.6 1.0

F.Kurniawan, K.Shi, K.Kurahashi, A.K.Bielinsky, H.Aihara. Crystal Structure Ofentamoeba HISTOLYTICACDC45 Suggests A Conformational Switch That May Regulate Dna Replication. Iscience V. 3 102 2018.
ISSN: ESSN 2589-0042
PubMed: 29901028
DOI: 10.1016/J.ISCI.2018.04.011