Chlorine in PDB 5tnu: S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution

The structure of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution, PDB code: 5tnu was solved by K.T.Duprez, E.Hilario, I.Wang, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 3.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	160.922, 160.922, 122.960, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.6

The binding sites of Chlorine atom in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution (pdb code 5tnu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution, PDB code: 5tnu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:62.1 occ:1.00 N A:ILE118 3.4 48.6 1.0 N B:ILE118 3.5 38.1 1.0 CG2 B:THR117 3.6 67.5 1.0 CA A:THR117 3.7 45.5 1.0 CB A:THR117 3.8 38.9 1.0 CA B:THR117 4.0 48.5 1.0 C A:THR117 4.1 37.2 1.0 CB A:ILE118 4.1 45.2 1.0 CB B:ILE118 4.1 54.4 1.0 CG1 A:ILE118 4.1 42.2 1.0 CG1 B:ILE118 4.2 42.4 1.0 C B:THR117 4.2 45.7 1.0 CA A:ILE118 4.3 44.8 1.0 CB B:THR117 4.4 43.5 1.0 CA B:ILE118 4.4 48.5 1.0 CD1 B:ILE118 4.5 52.1 1.0 O A:PRO116 4.5 57.5 1.0 CG2 A:THR117 4.5 53.4 1.0 CD1 A:ILE118 4.5 57.6 1.0 O B:PRO116 4.7 53.4 1.0 N A:THR117 4.9 47.0 1.0

Chlorine binding site 2 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:82.3 occ:1.00 OH A:TYR131 3.4 67.5 1.0 NZ A:LYS130 3.6 0.8 1.0 NH1 A:ARG127 3.6 84.1 1.0 O4 A:SO4502 3.8 64.6 1.0 CZ A:ARG127 4.0 64.9 1.0 NE A:ARG127 4.2 70.8 1.0 CD A:ARG127 4.2 53.2 1.0 CZ A:TYR131 4.4 54.8 1.0 CE2 A:TYR131 4.4 64.6 1.0 CD A:LYS130 4.5 60.1 1.0 CE A:LYS130 4.6 95.5 1.0 NH2 A:ARG127 4.6 76.7 1.0

Chlorine binding site 3 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:86.0 occ:1.00 NH1 A:ARG436 2.6 0.5 1.0 CZ A:ARG436 3.7 0.8 1.0 CB A:GLN273 4.2 0.9 1.0 NH2 A:ARG436 4.2 0.3 1.0 CD A:ARG432 4.5 0.6 1.0 NE A:ARG436 4.8 0.1 1.0 CA A:GLN273 4.8 0.7 1.0 CB A:ARG432 4.9 83.8 1.0

Chlorine binding site 4 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:83.1 occ:1.00 OG A:SER181 3.0 82.2 1.0 NH1 A:ARG205 3.7 72.3 1.0 CB A:SER181 4.0 52.1 1.0 NH2 A:ARG205 4.4 68.2 1.0 CZ A:ARG205 4.5 61.5 1.0 CD2 A:HIS178 4.7 39.9 1.0 CL A:CL512 4.7 71.9 1.0

Chlorine binding site 5 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:71.9 occ:1.00 N A:GLU182 3.5 70.3 1.0 CA A:SER181 3.9 35.4 1.0 CB A:SER181 4.1 52.1 1.0 NH2 A:ARG205 4.1 68.2 1.0 C A:SER181 4.2 46.1 1.0 CB A:GLU182 4.3 77.5 1.0 NZ A:LYS209 4.4 0.8 1.0 CG A:GLU182 4.4 84.1 1.0 CA A:GLU182 4.5 69.0 1.0 OG A:SER181 4.5 82.2 1.0 CL A:CL511 4.7 83.1 1.0 OE2 A:GLU182 4.8 82.7 1.0 CE A:LYS209 4.9 91.1 1.0 CD A:LYS209 4.9 69.2 1.0

Chlorine binding site 6 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:0.3 occ:1.00 OG B:SER181 3.1 75.0 1.0 NH1 B:ARG205 3.6 93.4 1.0 CB B:SER181 4.1 65.7 1.0 CZ B:ARG205 4.7 67.3 1.0 CD2 B:HIS178 4.8 56.6 1.0 CL B:CL507 4.9 81.2 1.0

Chlorine binding site 7 out of 7 in the S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of S. Tokodaii Xpb II Crystal Structure at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:81.2 occ:1.00 N B:GLU182 3.7 67.4 1.0 CA B:SER181 3.9 65.9 1.0 CB B:SER181 4.2 65.7 1.0 NZ B:LYS209 4.3 0.6 1.0 C B:SER181 4.3 58.7 1.0 NH1 B:ARG205 4.4 93.4 1.0 CD B:LYS209 4.5 80.3 1.0 CB B:GLU182 4.6 81.4 1.0 OG B:SER181 4.6 75.0 1.0 OD2 B:ASP207 4.7 84.3 1.0 CA B:GLU182 4.7 52.9 1.0 CL B:CL506 4.9 0.3 1.0 CE B:LYS209 4.9 90.8 1.0 NH2 B:ARG205 4.9 0.5 1.0

D.Kahanda, K.T.Duprez, E.Hilario, M.A.Mcwilliams, C.H.Wohlgamuth, L.Fan, J.D.Slinker. Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on Dna. Anal.Chem. V. 90 2178 2018.
ISSN: ESSN 1520-6882
PubMed: 29285929
DOI: 10.1021/ACS.ANALCHEM.7B04515