Chlorine in PDB 8uhh: Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F

The structure of Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F, PDB code: 8uhh was solved by R.Kalagiri, R.L.Stanfield, T.Hunter, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.27 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.574, 72.072, 152.189, 90, 90, 90
R / Rfree (%)	20.4 / 23.6

The binding sites of Chlorine atom in the Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F (pdb code 8uhh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F, PDB code: 8uhh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:16.7 occ:1.00 H H:HIS47 2.3 22.1 1.0 H L:PHE98 2.3 19.6 1.0 HA L:ALA97 2.9 22.0 1.0 HD2 L:PHE98 3.0 19.9 1.0 HA H:GLU46 3.0 22.1 1.0 N L:PHE98 3.2 16.3 1.0 N H:HIS47 3.2 18.5 1.0 HB2 L:PHE98 3.3 19.9 1.0 HB3 H:HIS47 3.4 21.1 1.0 O H:HOH409 3.4 28.4 1.0 HB2 H:HIS47 3.6 21.1 1.0 OE1 H:GLU46 3.7 24.0 1.0 CA L:ALA97 3.8 18.3 1.0 O L:HOH468 3.8 31.1 1.0 CB H:HIS47 3.8 17.6 1.0 CA H:GLU46 3.9 18.4 1.0 CD2 L:PHE98 3.9 16.6 1.0 C L:ALA97 4.0 16.4 1.0 C H:GLU46 4.0 17.4 1.0 CB L:PHE98 4.0 16.6 1.0 CA H:HIS47 4.1 16.7 1.0 CA L:PHE98 4.1 15.9 1.0 O H:LEU45 4.1 18.0 1.0 HB1 L:ALA97 4.2 22.9 1.0 O L:PHE98 4.2 16.7 1.0 O L:TYR96 4.4 15.8 1.0 HB3 H:GLU46 4.4 23.2 1.0 CG L:PHE98 4.4 16.4 1.0 CB L:ALA97 4.5 19.1 1.0 O H:HIS47 4.5 17.4 1.0 C L:PHE98 4.7 16.5 1.0 HB2 L:ALA97 4.7 22.9 1.0 CB H:GLU46 4.7 19.4 1.0 CD H:GLU46 4.7 23.4 1.0 O L:HOH416 4.8 27.8 1.0 N L:ALA97 4.8 16.6 1.0 N H:GLU46 4.8 18.0 1.0 C H:HIS47 4.8 16.4 1.0 C H:LEU45 4.9 18.5 1.0 O L:HOH465 4.9 19.6 1.0 HA H:HIS47 4.9 20.0 1.0 HB3 L:PHE98 4.9 19.9 1.0 CE2 L:PHE98 4.9 17.2 1.0 HE2 L:PHE98 4.9 20.7 1.0 HA L:PHE98 4.9 19.1 1.0 C L:TYR96 5.0 16.9 1.0

Chlorine binding site 2 out of 2 in the Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anti-Phosphohistidine Fab HSC44.Ck.Elbow.20.N32F within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:23.3 occ:1.00 HE1 L:TRP28 2.4 26.0 1.0 HH11 L:ARG29 2.5 23.7 1.0 H31 H:EPE301 3.0 40.2 1.0 HD2 L:ARG29 3.1 24.3 1.0 HD3 L:ARG29 3.2 24.3 1.0 NE1 L:TRP28 3.2 21.7 1.0 NH1 L:ARG29 3.3 19.7 1.0 HZ L:PHE32 3.6 22.9 1.0 HZ2 L:TRP28 3.6 34.5 1.0 CD L:ARG29 3.6 20.2 1.0 HH12 L:ARG29 3.6 23.7 1.0 C3 H:EPE301 4.0 33.5 1.0 H71 H:EPE301 4.0 57.9 1.0 CE2 L:TRP28 4.1 23.4 1.0 H32 H:EPE301 4.1 40.2 1.0 CZ L:PHE32 4.2 19.1 1.0 CZ2 L:TRP28 4.2 28.8 1.0 CZ L:ARG29 4.2 20.8 1.0 H72 H:EPE301 4.3 57.9 1.0 CD1 L:TRP28 4.3 20.3 1.0 NE L:ARG29 4.3 21.6 1.0 O L:HOH602 4.4 29.3 1.0 HD1 L:TRP28 4.5 24.4 1.0 C7 H:EPE301 4.6 48.2 1.0 HE1 L:PHE32 4.6 22.7 1.0 O H:HOH479 4.6 35.7 1.0 HG3 L:ARG29 4.6 24.0 1.0 N4 H:EPE301 4.7 40.4 1.0 CE1 L:PHE32 4.7 18.9 1.0 CG L:ARG29 4.8 20.0 1.0 H22 H:EPE301 4.8 31.2 1.0 CE2 L:PHE32 4.9 19.5 1.0 HE2 L:PHE32 4.9 23.4 1.0 H52 H:EPE301 5.0 43.7 1.0

G.D.Martyn, R.Kalagiri, G.Veggiani, R.L.Stanfield, I.Choudhuri, M.Sala, J.Meisenhelder, C.Chen, A.Biswas, R.M.Levy, D.Lyumkis, I.A.Wilson, T.Hunter, S.S.Sidhu. Using Phage Display For Rational Engineering of A Higher Affinity Humanized 3' Phosphohistidine-Specific Antibody. Biorxiv 2024.
ISSN: ISSN 2692-8205
PubMed: 39574610
DOI: 10.1101/2024.11.04.621849