Chlorine in PDB 7d4b: Crystal Structure of 4-1BB in Complex with A Vhh

The structure of Crystal Structure of 4-1BB in Complex with A Vhh, PDB code: 7d4b was solved by C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.79 / 3.14
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.851, 106.851, 146.41, 90, 90, 90
R / Rfree (%)	21.1 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of 4-1BB in Complex with A Vhh (pdb code 7d4b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 4-1BB in Complex with A Vhh, PDB code: 7d4b:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of 4-1BB in Complex with A Vhh


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 4-1BB in Complex with A Vhh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:103.8 occ:1.00 N A:GLY70 3.5 112.5 1.0 CE A:LYS69 3.5 155.3 1.0 CA A:GLY70 4.2 99.3 1.0 NZ A:LYS69 4.4 157.7 1.0 CB A:LYS69 4.5 131.6 1.0 C A:LYS69 4.5 107.4 1.0 CA A:LYS69 4.5 111.3 1.0 CG A:LYS69 4.6 141.9 1.0 CD A:LYS69 4.7 148.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of 4-1BB in Complex with A Vhh


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 4-1BB in Complex with A Vhh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:75.7 occ:1.00 NH2 A:ARG130 3.2 125.5 1.0 N A:CYS94 3.4 103.5 1.0 CB A:CYS94 3.8 104.6 1.0 CA A:CYS94 4.2 99.8 1.0 CA A:HIS93 4.2 80.9 1.0 CZ A:ARG130 4.3 130.6 1.0 C A:HIS93 4.3 93.1 1.0 CB A:HIS93 4.3 79.3 1.0 NH1 A:ARG130 4.4 135.5 1.0 O A:CYS94 4.6 102.0 1.0 SG A:CYS94 4.7 125.3 1.0 C A:CYS94 4.9 94.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of 4-1BB in Complex with A Vhh


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 4-1BB in Complex with A Vhh within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:103.9 occ:1.00 CE B:LYS76 3.8 120.2 1.0 NH1 B:ARG19 3.8 146.4 1.0 OH B:TYR80 4.0 99.3 1.0 CD B:LYS76 4.2 111.6 1.0 NZ B:LYS76 4.2 132.3 1.0 CZ B:TYR80 4.7 104.0 1.0 CZ B:ARG19 4.9 132.8 1.0

T.Zhai, C.Wang, Y.Xu, W.Huang, Z.Yuan, T.Wang, S.Dai, S.Peng, T.Pang, W.Jiang, Y.Huang, Y.Zou, Y.Xu, J.Sun, X.Gong, J.Zhang, A.Tsun, B.Li, X.Miao. Generation of A Safe and Efficacious Llama Single-Domain Antibody Fragment (Vhh) Targeting the Membrane-Proximal Region of 4-1BB For Engineering Therapeutic Bispecific Antibodies For Cancer. J Immunother Cancer V. 9 2021.
ISSN: ESSN 2051-1426
PubMed: 34172514
DOI: 10.1136/JITC-2020-002131