Chlorine in PDB 7uvf: Crystal Structure of ZED8 Fab Complex with CD8 Alpha

The structure of Crystal Structure of ZED8 Fab Complex with CD8 Alpha, PDB code: 7uvf was solved by C.Yu, C.Davies, J.T.Koerber, S.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.35 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	268.968, 59.441, 111.377, 90, 112.29, 90
R / Rfree (%)	19.8 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of ZED8 Fab Complex with CD8 Alpha (pdb code 7uvf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of ZED8 Fab Complex with CD8 Alpha, PDB code: 7uvf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of ZED8 Fab Complex with CD8 Alpha


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 ZED8 Fab Complex with CD8 Alpha within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:64.6 occ:1.00 NE2 H:HIS35 2.9 47.6 1.0 N H:GLY98 3.1 38.5 1.0 N H:TYR100B 3.1 43.5 1.0 CE1 H:HIS35 3.3 48.0 1.0 C H:GLY98 3.4 45.5 1.0 CA H:GLY98 3.4 38.0 1.0 N H:TYR99 3.5 39.6 1.0 NH1 H:ARG50 3.6 43.6 1.0 CA H:TYR100B 3.7 39.5 1.0 N H:TYR97 3.7 44.4 1.0 CA H:GLY95 3.8 44.0 1.0 CD1 H:TYR33 3.9 34.8 1.0 C H:GLY95 3.9 48.2 1.0 O H:GLY98 3.9 41.0 1.0 CB H:TYR33 4.0 36.6 1.0 CG H:TYR33 4.1 37.5 1.0 O H:HOH418 4.1 39.7 1.0 CD2 H:HIS35 4.2 45.4 1.0 C H:TYR97 4.2 47.5 1.0 CD H:ARG50 4.2 41.7 1.0 C H:TYR99 4.2 40.3 1.0 CA H:TYR99 4.4 45.4 1.0 CG H:TYR100B 4.4 45.3 1.0 CD1 H:TYR100B 4.5 53.6 1.0 CA H:TYR97 4.5 43.3 1.0 CZ H:ARG50 4.5 42.1 1.0 ND1 H:HIS35 4.6 42.9 1.0 CE1 H:TYR33 4.6 39.6 1.0 O H:GLY95 4.7 50.1 1.0 CB H:TYR100B 4.7 39.3 1.0 C H:TYR100B 4.8 50.2 1.0 CD2 H:TYR100B 4.8 37.1 1.0 NE H:ARG50 4.8 42.4 1.0 CE1 H:TYR100B 4.9 36.6 1.0 N H:VAL100C 4.9 47.6 1.0 N H:GLY95 4.9 44.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of ZED8 Fab Complex with CD8 Alpha


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 ZED8 Fab Complex with CD8 Alpha within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl301 b:57.8 occ:1.00 N X:GLY98 3.0 44.6 1.0 NE2 X:HIS35 3.0 49.0 1.0 N X:TYR100B 3.1 46.9 1.0 CA X:GLY98 3.3 42.7 1.0 C X:GLY98 3.3 48.7 1.0 N X:TYR99 3.4 49.6 1.0 CE1 X:HIS35 3.5 51.1 1.0 NH1 X:ARG50 3.5 42.7 1.0 CA X:TYR100B 3.6 41.4 1.0 CD1 X:TYR33 3.8 62.9 1.0 N X:TYR97 3.8 62.0 1.0 CA X:GLY95 3.9 58.8 1.0 O X:GLY98 3.9 46.6 1.0 C X:GLY95 4.0 62.8 1.0 CB X:TYR33 4.1 57.5 1.0 C X:TYR97 4.2 60.1 1.0 CG X:TYR33 4.2 54.3 1.0 C X:TYR99 4.2 44.8 1.0 CD2 X:HIS35 4.3 50.7 1.0 CD X:ARG50 4.3 43.3 1.0 CG X:TYR100B 4.4 41.7 1.0 CA X:TYR99 4.4 40.4 1.0 CD1 X:TYR100B 4.4 38.3 1.0 CA X:TYR97 4.6 55.2 1.0 CE1 X:TYR33 4.6 66.5 1.0 CB X:TYR100B 4.6 40.4 1.0 CZ X:ARG50 4.6 55.2 1.0 O X:GLY95 4.7 70.8 1.0 C X:TYR100B 4.7 46.3 1.0 ND1 X:HIS35 4.7 47.1 1.0 CD2 X:TYR100B 4.8 44.2 1.0 CE1 X:TYR100B 4.8 43.8 1.0 NE X:ARG50 4.9 44.8 1.0 N X:VAL100C 4.9 51.5 1.0 N X:GLY95 4.9 58.1 1.0

A.Ogasawara, J.R.Kiefer, H.Gill, E.Chiang, S.Sriraman, G.Z.Ferl, J.Ziai, S.S.Bohorquez, S.Guelman, X.Wang, J.Yang, M.M.Phan, V.Nguyen, S.Chung, C.Yu, J.Tinianow, S.J.H.Waaijer, A.De Crespigny, J.Marik, C.A.Boswell, T.Zabka, K.Staflin, S.P.Williams. Preclinical Development of ZED8, An 89 Zr Immuno-Pet Reagent For Monitoring Tumor CD8 Status in Patients Undergoing Cancer Immunotherapy. Eur J Nucl Med Mol Imaging 2022.
ISSN: ISSN 1619-7089
PubMed: 36271158
DOI: 10.1007/S00259-022-05968-6