Chlorine in PDB 7kgu: Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02

The structure of Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02, PDB code: 7kgu was solved by M.S.Miller, T.Y.Aytenfisu, K.M.Wright, S.B.Gabelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.53 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.462, 263.955, 91.237, 90, 99.53, 90
R / Rfree (%)	20.8 / 26.9

The structure of Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02 (pdb code 7kgu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02, PDB code: 7kgu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl308 b:21.8 occ:1.00 N F:ASN28 3.3 26.2 1.0 N H:ASN28 3.3 23.6 1.0 CA F:PHE27 3.8 26.6 1.0 CA H:PHE27 3.9 23.9 1.0 CD2 H:TYR31 3.9 25.5 1.0 C F:PHE27 4.0 25.6 1.0 C H:PHE27 4.1 23.0 1.0 CB F:PHE27 4.1 26.3 1.0 CB F:ASN28 4.2 27.3 1.0 CB H:ASN28 4.2 24.3 1.0 CD2 F:TYR31 4.2 28.4 1.0 O H:HOH534 4.2 41.0 1.0 CE1 H:TYR32 4.2 25.4 1.0 CB H:PHE27 4.2 23.7 1.0 CA F:ASN28 4.2 25.7 1.0 CA H:ASN28 4.2 22.9 1.0 O H:ASN28 4.3 22.8 1.0 CE1 F:TYR32 4.4 28.6 1.0 CE2 H:TYR31 4.4 25.8 1.0 O F:ASN28 4.5 25.5 1.0 OH H:TYR32 4.6 28.0 1.0 CE2 F:TYR31 4.6 28.8 1.0 OH F:TYR32 4.8 31.1 1.0 C H:ASN28 4.8 22.1 1.0 C F:ASN28 4.9 24.8 1.0 CG H:TYR31 4.9 25.9 1.0 CZ H:TYR32 4.9 26.3 1.0

Chlorine binding site 2 out of 2 in the Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 2Q1-Fab, An Antibody Selective For IDH2R140Q-Hla-B*07:02 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl304 b:62.7 occ:1.00 O L:ALA51 2.8 31.4 1.0 O L:SER65 3.0 33.0 1.0 NE1 L:TRP35 3.0 24.9 1.0 O L:THR72 3.3 30.9 1.0 N L:SER65 3.3 34.6 1.0 CB L:PHE71 3.6 31.2 1.0 N L:THR72 3.6 31.0 1.0 C L:ALA51 3.7 33.7 1.0 C L:SER65 3.7 35.9 1.0 CA L:ALA51 3.8 34.4 1.0 CD1 L:TRP35 3.9 24.5 1.0 CD1 L:PHE71 3.9 32.2 1.0 C L:GLY64 3.9 34.8 1.0 C L:THR72 4.0 29.7 1.0 CE2 L:TRP35 4.0 24.1 1.0 CA L:GLY64 4.0 33.5 1.0 CA L:PHE71 4.0 31.7 1.0 CB L:ALA51 4.1 36.4 1.0 CA L:SER65 4.1 36.8 1.0 C L:PHE71 4.2 30.7 1.0 CG L:PHE71 4.2 31.7 1.0 CZ2 L:TRP35 4.3 24.0 1.0 CA L:THR72 4.5 30.8 1.0 N L:ARG66 4.7 37.3 1.0 CG1 L:VAL33 4.7 29.1 1.0 N L:LEU73 4.8 29.1 1.0 O L:GLY64 4.9 36.9 1.0 N L:SER52 4.9 34.2 1.0

M.S.Miller, M.Huang, T.Y.Aytenfisu, S.B.Gabelli. Structural Engineering of Chimeric Antigen Receptors Targeting Hla-Restricted Neoantigens To Be Published.