Chlorine in PDB 5fld: Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form

The structure of Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form, PDB code: 5fld was solved by T.H.Nguyen, M.J.Van Raaij, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.70
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	81.400, 81.400, 81.400, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form (pdb code 5fld). 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 Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form, PDB code: 5fld:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form


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 Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1451 b:44.9 occ:1.00 O A:HOH2005 2.9 46.6 1.0 N A:LEU378 2.9 24.0 1.0 O A:SER370 3.0 36.3 1.0 N A:SER370 3.1 31.7 1.0 O A:LEU378 3.6 27.7 1.0 CA A:LEU377 3.7 24.9 1.0 NZ A:LYS374 3.7 58.0 1.0 N A:LYS369 3.7 28.3 1.0 C A:LEU377 3.8 24.9 1.0 C A:SER370 3.8 35.8 1.0 CA A:SER370 3.8 33.9 1.0 CA A:LEU378 3.9 25.7 1.0 CB A:PHE368 4.0 27.2 1.0 CB A:LYS369 4.0 31.8 1.0 CB A:LEU378 4.0 29.0 1.0 CB A:SER370 4.0 36.1 1.0 C A:LYS369 4.1 31.3 1.0 C A:LEU378 4.1 25.2 1.0 CA A:LYS369 4.1 31.1 1.0 CB A:LEU377 4.3 25.2 1.0 CD2 A:PHE368 4.4 27.4 1.0 O A:GLU376 4.4 29.6 1.0 CE A:LYS374 4.4 56.6 1.0 C A:PHE368 4.4 30.6 1.0 CG A:LEU378 4.5 32.9 1.0 O A:HOH2066 4.5 46.6 1.0 CD2 A:LEU377 4.5 28.3 1.0 CA A:PHE368 4.6 26.6 1.0 CG A:PHE368 4.7 25.4 1.0 N A:LEU377 4.8 26.2 1.0 OG A:SER370 4.9 35.5 1.0 O A:LEU377 5.0 27.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form


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 Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1452 b:35.4 occ:0.50 O A:HOH2115 2.6 27.3 0.5 N A:THR393 3.1 26.1 1.0 OG1 A:THR393 3.3 32.2 1.0 CB A:HIS444 3.5 28.5 1.0 CD2 A:HIS444 3.6 33.5 1.0 CG A:HIS444 3.6 31.4 1.0 CB A:THR393 3.6 27.9 1.0 CA A:SER392 3.8 27.6 1.0 C A:SER392 3.9 26.4 1.0 CA A:THR393 3.9 25.6 1.0 CB A:SER392 4.2 30.2 1.0 OG A:SER392 4.2 33.8 1.0 NE2 A:HIS444 4.5 32.1 1.0 ND1 A:HIS444 4.5 32.4 1.0 O A:THR393 4.7 25.7 1.0 C A:THR393 4.8 25.3 1.0 O A:PRO391 4.8 30.2 1.0 CA A:HIS444 5.0 27.4 1.0 CE A:MET410 5.0 34.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form


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 Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1453 b:65.9 occ:1.00 NZ A:LYS337 3.0 42.9 1.0 O A:HOH2058 3.1 54.5 1.0 O A:HOH2059 3.4 66.8 1.0 CE A:LYS337 3.5 39.5 1.0 CD A:LYS337 3.6 41.2 1.0 CA A:LYS369 3.8 31.1 1.0 CG A:PRO380 3.9 30.5 1.0 CG A:LYS369 4.1 41.5 1.0 CB A:LYS369 4.2 31.8 1.0 O A:LYS369 4.5 35.3 1.0 O A:HOH2029 4.5 64.3 1.0 N A:LYS369 4.6 28.3 1.0 C A:LYS369 4.7 31.3 1.0 CD A:PRO380 4.7 26.8 1.0 O A:PHE368 4.7 32.7 1.0 CB A:PRO380 4.8 28.3 1.0 CD A:LYS369 5.0 47.6 1.0 CG A:LYS337 5.0 36.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form


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 Raptor Adenovirus 1 Fibre Head, Beta-Hairpin Deleted Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1454 b:66.1 occ:1.00 N A:THR434 2.8 35.4 1.0 O A:HOH2082 2.8 36.5 1.0 O A:HOH2081 3.0 34.3 1.0 CA A:GLU433 3.4 35.2 1.0 C A:GLU433 3.6 34.7 1.0 CB A:GLU433 3.7 33.7 1.0 CB A:THR434 3.7 36.4 1.0 CA A:THR434 3.8 33.9 1.0 O A:THR434 4.0 28.5 1.0 OG1 A:THR434 4.0 39.4 1.0 O A:HOH2083 4.0 53.1 1.0 CG A:GLU433 4.2 34.7 1.0 C A:THR434 4.4 30.8 1.0 OG1 A:THR401 4.4 35.6 1.0 CB A:THR401 4.6 32.5 1.0 N A:THR401 4.6 28.2 1.0 O A:HOH2007 4.7 61.6 1.0 CB A:THR400 4.7 26.7 1.0 N A:GLU433 4.7 34.7 1.0 O A:GLU433 4.8 32.6 1.0 OE1 A:GLU433 4.8 35.6 1.0 O A:HIS432 4.9 38.1 1.0

T.H.Nguyen, M.Z.Ballmann, H.T.Do, H.N.Truong, M.Benko, B.Harrach, M.J.Van Raaij. Crystal Structure of Raptor Adenovirus 1 Fibre Head and Role of the Beta-Hairpin in Siadenovirus Fibre Head Domains. Virol. J. V. 13 106 2016.
ISSN: ISSN 1743-422X
PubMed: 27334597
DOI: 10.1186/S12985-016-0558-7