Chlorine in PDB 4hha: Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1

The structure of Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1, PDB code: 4hha was solved by S.Bryson, L.Risnes, S.Damgupta, C.A.Thomson, R.Pfoh, J.W.Schrader, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.250, 65.510, 67.110, 90.00, 96.58, 90.00
R / Rfree (%)	21.3 / 22.6

The binding sites of Chlorine atom in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1 (pdb code 4hha). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1, PDB code: 4hha:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:12.4 occ:1.00 O A:HOH520 3.1 24.9 1.0 NH1 A:ARG61 3.3 11.2 1.0 N A:ARG61 3.6 12.3 1.0 CG A:ARG61 3.6 10.6 1.0 CB A:PRO59 3.6 16.6 1.0 CB A:ARG61 3.7 10.2 1.0 CD A:ARG61 3.9 9.1 1.0 N A:ALA60 4.1 13.0 1.0 CA A:ARG61 4.2 10.6 1.0 CZ A:ARG61 4.4 10.2 1.0 C A:PRO59 4.4 13.4 1.0 C A:ALA60 4.5 13.1 1.0 CA A:PRO59 4.5 14.8 1.0 CG A:PRO59 4.6 17.3 1.0 NE A:ARG61 4.6 9.5 1.0 CA A:ALA60 4.6 13.6 1.0 O A:HOH423 4.7 14.1 1.0 CB A:ALA60 4.8 15.2 1.0 OE1 A:GLU79 4.8 21.6 1.0

Chlorine binding site 2 out of 5 in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:23.9 occ:1.00 OD2 A:ASP50 2.9 11.7 1.0 N P:ASN5 3.1 13.4 1.0 OD1 A:ASP50 3.5 14.2 1.0 NH1 A:ARG91 3.5 12.1 1.0 CG A:ASP50 3.6 11.3 1.0 CG P:ASN5 3.6 18.1 1.0 NH2 A:ARG91 3.7 18.3 1.0 CB P:ASN5 3.7 14.8 1.0 CB P:TYR4 3.8 12.9 1.0 ND2 P:ASN5 3.8 17.4 1.0 CA P:TYR4 3.8 12.8 1.0 C P:TYR4 4.0 12.9 1.0 CA P:ASN5 4.0 13.7 1.0 CZ A:ARG91 4.0 15.8 1.0 OD1 P:ASN5 4.1 19.7 1.0 CD1 P:TYR4 4.1 13.6 1.0 CE1 A:TYR32 4.2 9.9 1.0 O P:ASN5 4.4 13.1 1.0 CG P:TYR4 4.4 13.1 1.0 CD2 A:TYR49 4.6 13.5 1.0 CE2 A:TYR49 4.7 14.2 1.0 C P:ASN5 4.7 14.0 1.0 CD1 A:TYR32 4.8 9.4 1.0

Chlorine binding site 3 out of 5 in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:27.8 occ:1.00 O A:ALA51 2.8 11.9 1.0 O A:SER65 2.8 14.0 1.0 NE1 A:TRP35 2.9 10.6 1.0 N A:SER65 3.4 14.5 1.0 C A:ALA51 3.6 10.7 1.0 CA A:ALA51 3.6 11.4 1.0 CB A:PHE71 3.6 10.9 1.0 O A:THR72 3.6 11.9 1.0 CD1 A:TRP35 3.7 10.4 1.0 C A:SER65 3.7 14.6 1.0 CD2 A:PHE71 3.8 9.8 1.0 CB A:ALA51 3.9 11.2 1.0 N A:THR72 3.9 9.0 1.0 CA A:GLY64 4.0 12.2 1.0 C A:GLY64 4.0 13.9 1.0 CE2 A:TRP35 4.0 10.0 1.0 CD1 A:LEU33 4.1 13.1 1.0 CA A:SER65 4.2 15.0 1.0 CG A:PHE71 4.2 9.8 1.0 C A:THR72 4.2 11.2 1.0 CA A:PHE71 4.5 9.8 1.0 CZ2 A:TRP35 4.5 10.4 1.0 C A:PHE71 4.6 10.0 1.0 CA A:THR72 4.7 10.5 1.0 N A:GLY66 4.8 14.1 1.0 N A:SER52 4.9 12.3 1.0 N A:ALA51 4.9 11.0 1.0 CG A:TRP35 4.9 10.9 1.0 O A:GLY64 5.0 13.6 1.0 CG A:LEU33 5.0 11.2 1.0 CE2 A:PHE71 5.0 10.6 1.0 N A:LEU73 5.0 9.3 1.0

Chlorine binding site 4 out of 5 in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:25.9 occ:1.00 O A:PRO95A 2.8 10.0 1.0 N A:VAL2 2.9 14.0 1.0 O A:HOH417 2.9 21.7 1.0 O A:ASN93 3.1 13.5 1.0 NE2 A:GLN90 3.4 7.1 1.0 CA A:GLU1 3.4 16.4 1.0 CB A:GLU1 3.5 18.4 1.0 CD A:PRO95A 3.6 11.6 1.0 C A:GLU1 3.7 16.1 1.0 CG2 A:VAL2 3.7 13.6 1.0 CG A:PRO95A 3.7 10.3 1.0 CG2 A:THR97 3.8 7.4 1.0 CB A:VAL2 3.9 12.6 1.0 C A:PRO95A 3.9 8.6 1.0 N A:PRO95A 3.9 11.1 1.0 CA A:VAL2 3.9 12.6 1.0 C A:ASN93 4.3 12.0 1.0 OG1 A:THR97 4.4 9.7 1.0 CA A:PRO95A 4.4 10.2 1.0 O A:VAL2 4.4 13.5 1.0 C A:PRO95 4.5 12.1 1.0 C A:VAL2 4.6 12.6 1.0 CD A:GLN90 4.6 8.8 1.0 O A:PRO95 4.7 11.9 1.0 CA A:TRP94 4.7 11.8 1.0 CB A:THR97 4.8 10.1 1.0 CB A:PRO95A 4.8 10.7 1.0 CG A:GLU1 4.8 20.8 1.0 N A:GLU1 4.8 15.9 1.0 O A:GLU1 4.9 17.5 1.0 OD1 A:ASN93 5.0 15.1 1.0

Chlorine binding site 5 out of 5 in the Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Anti-Human Cytomegalovirus (Hcmv) Fab KE5 with Epitope Peptide Ad-2S1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:34.8 occ:1.00 N B:GLN13 3.2 19.8 1.0 CG1 B:VAL12 3.4 22.2 1.0 CA B:VAL12 3.7 19.1 1.0 OE1 B:GLN13 3.8 32.2 1.0 NE B:ARG16 3.9 34.9 1.0 CB B:GLN13 3.9 23.1 1.0 C B:VAL12 3.9 19.8 1.0 CB B:VAL12 4.0 20.7 1.0 CG B:ARG16 4.0 25.4 1.0 CB B:ARG16 4.1 19.7 1.0 CA B:GLN13 4.2 20.0 1.0 CG B:GLN13 4.2 26.8 1.0 CD B:GLN13 4.4 29.5 1.0 NH1 B:ARG16 4.5 38.1 1.0 O B:VAL11 4.5 19.2 1.0 CG2 B:VAL12 4.6 21.8 1.0 CZ B:ARG16 4.6 36.4 1.0 CD B:ARG16 4.7 29.4 1.0 N B:VAL12 4.9 18.6 1.0

S.Bryson, L.Risnes, S.Damgupta, C.A.Thomson, J.W.Schrader, E.F.Pai. Multitasking Immunoglobulin V-Genes and Somatic Diversity in CDR3 Loops Generate Binding Sites For Chemically Distinct Antigens From Bacterial and Viral Pathogens. To Be Published.