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

The structure of Transglutaminase 3 Zymogen in Complex with Dh Patient-Derived Fab DH63-B02, PDB code: 8oxv 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)	41.81 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.659, 94.04, 91.143, 90, 93.46, 90
R / Rfree (%)	18.5 / 22.9

The structure of Transglutaminase 3 Zymogen 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 Zymogen in Complex with Dh Patient-Derived Fab DH63-B02 (pdb code 8oxv). 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 Zymogen in Complex with Dh Patient-Derived Fab DH63-B02, PDB code: 8oxv:

Chlorine binding site 1 out of 1 in the Transglutaminase 3 Zymogen 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 Zymogen in Complex with Dh Patient-Derived Fab DH63-B02 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:45.7 occ:1.00 HH22 A:ARG170 2.1 80.5 1.0 H A:ILE591 2.4 31.4 1.0 HH12 A:ARG588 2.6 56.3 1.0 O A:HOH939 2.9 44.7 1.0 HA A:ILE590 2.9 33.0 1.0 NH2 A:ARG170 3.0 78.6 1.0 HE A:ARG170 3.2 80.6 1.0 N A:ILE591 3.3 30.7 1.0 NH1 A:ARG588 3.4 55.7 1.0 HB A:ILE591 3.5 38.1 1.0 HH21 A:ARG170 3.6 80.2 1.0 HH11 A:ARG588 3.6 56.1 1.0 HG22 A:ILE590 3.7 35.1 1.0 HB2 A:ASN169 3.7 41.4 1.0 HB2 A:ARG170 3.7 51.1 1.0 HD12 A:LEU493 3.7 39.4 1.0 NE A:ARG170 3.7 83.8 1.0 CA A:ILE590 3.8 34.1 1.0 CZ A:ARG170 3.8 85.6 1.0 HD13 A:LEU493 3.8 39.8 1.0 HB A:ILE590 3.8 35.0 1.0 O A:ILE591 4.0 35.9 1.0 C A:ILE590 4.1 30.9 1.0 CD1 A:LEU493 4.1 40.8 1.0 HB3 A:ARG170 4.1 51.0 1.0 HD11 A:LEU493 4.2 39.7 1.0 HG13 A:ILE591 4.2 41.5 1.0 HB3 A:ASN169 4.2 41.8 1.0 CB A:ILE590 4.2 34.8 1.0 CB A:ILE591 4.2 37.5 1.0 CA A:ILE591 4.3 32.3 1.0 O A:ASP589 4.3 28.5 1.0 CB A:ARG170 4.4 51.4 1.0 HD12 A:ILE591 4.4 44.9 1.0 CG2 A:ILE590 4.4 35.1 1.0 CB A:ASN169 4.4 42.4 1.0 HH21 A:ARG588 4.4 59.3 1.0 HG21 A:VAL489 4.5 37.3 1.0 CZ A:ARG588 4.5 58.0 1.0 C A:ILE591 4.6 32.5 1.0 CG1 A:ILE591 4.6 41.6 1.0 NH2 A:ARG588 4.9 60.0 1.0 N A:ILE590 4.9 30.6 1.0 HG23 A:ILE590 4.9 35.2 1.0 OG A:SER167 5.0 35.1 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