Chlorine in PDB 8oxw: Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02

The structure of Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02, PDB code: 8oxw was solved by J.E.Heggelund, L.M.Sollid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.32 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.505, 93.488, 90.644, 90, 92.63, 90
R / Rfree (%)	17.2 / 21

The structure of Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02 also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02 (pdb code 8oxw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02, PDB code: 8oxw:

Chlorine binding site 1 out of 1 in the Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Transglutaminase 3 in Complex with Dh Patient-Derived Fab DH63-B02 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl714 b:46.9 occ:1.00 H A:ILE591 2.4 32.5 1.0 HH21 A:ARG170 2.4 82.4 1.0 HH11 A:ARG588 2.6 54.6 1.0 O A:HOH1085 2.7 39.8 1.0 HA A:ILE590 2.9 35.1 1.0 NH2 A:ARG170 3.2 80.4 1.0 HH12 A:ARG170 3.2 95.1 1.0 NH1 A:ARG588 3.2 54.3 1.0 N A:ILE591 3.3 31.8 1.0 HH12 A:ARG588 3.3 54.9 1.0 CZ A:ARG170 3.5 87.2 1.0 HD13 A:LEU493 3.6 50.8 1.0 NH1 A:ARG170 3.7 100.4 1.0 HB A:ILE591 3.7 36.7 1.0 CA A:ILE590 3.7 35.9 1.0 HB2 A:ASN169 3.7 41.1 1.0 HD12 A:LEU493 3.8 50.4 1.0 HB2 A:ARG170 3.8 58.4 1.0 HG22 A:ILE590 3.8 38.1 1.0 HB A:ILE590 3.9 38.1 1.0 HH22 A:ARG170 3.9 82.3 1.0 O A:ILE591 3.9 33.9 1.0 HB3 A:ARG170 3.9 58.0 1.0 C A:ILE590 4.0 33.3 1.0 CD1 A:LEU493 4.0 52.6 1.0 HD11 A:LEU493 4.1 50.8 1.0 HB3 A:ASN169 4.2 41.5 1.0 CA A:ILE591 4.3 32.2 1.0 O A:ASP589 4.3 33.6 1.0 CB A:ILE590 4.3 38.1 1.0 HG13 A:ILE591 4.3 40.9 1.0 CB A:ILE591 4.3 36.3 1.0 CB A:ARG170 4.4 58.0 1.0 HD12 A:ILE591 4.4 45.5 1.0 NE A:ARG170 4.4 86.8 1.0 HH11 A:ARG170 4.4 96.0 1.0 CB A:ASN169 4.5 39.8 1.0 CZ A:ARG588 4.5 56.1 1.0 CG2 A:ILE590 4.5 38.0 1.0 C A:ILE591 4.6 33.3 1.0 HG21 A:VAL489 4.6 42.2 1.0 HE A:ARG588 4.6 54.1 1.0 HD2 A:ARG170 4.7 84.6 1.0 CG1 A:ILE591 4.8 40.5 1.0 N A:ILE590 4.9 32.1 1.0 HE A:ARG170 4.9 87.7 1.0 NE A:ARG588 5.0 57.1 1.0 CD A:ARG170 5.0 88.7 1.0

J.E.Heggelund, S.Das, J.Stamnaes, R.Iversen, L.M.Sollid. Autoantibody Binding and Unique Enzyme-Substrate Intermediate Conformation of Human Transglutaminase 3. Nat Commun V. 14 6216 2023.
ISSN: ESSN 2041-1723
PubMed: 37798283
DOI: 10.1038/S41467-023-42004-Z