Chlorine in PDB 8d0d: Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct

All present enzymatic activity of Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct:
3.2.2.6;

The structure of Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct, PDB code: 8d0d was solved by M.A.Bratkowski, P.Mathur, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.50 / 1.96
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.138, 86.634, 117.065, 90, 90, 90
R / Rfree (%)	18.2 / 23.3

The binding sites of Chlorine atom in the Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct (pdb code 8d0d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct, PDB code: 8d0d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:31.9 occ:1.00 CL29 A:Q0L801 0.0 31.9 1.0 C28 A:Q0L801 1.8 30.2 1.0 C30 A:Q0L801 2.8 24.8 1.0 C27 A:Q0L801 2.8 23.9 1.0 C31 A:Q0L801 4.1 22.8 1.0 C26 A:Q0L801 4.1 23.7 1.0 C25 A:Q0L801 4.6 30.0 1.0

Chlorine binding site 2 out of 2 in the Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human SARM1 Tir Domain Bound to An Nb-7-Adpr Adduct within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:36.1 occ:1.00 CL29 B:Q0L801 0.0 36.1 1.0 C28 B:Q0L801 1.8 31.4 1.0 C30 B:Q0L801 2.8 28.5 1.0 C27 B:Q0L801 2.8 27.4 1.0 C31 B:Q0L801 4.1 28.1 1.0 C26 B:Q0L801 4.1 25.9 1.0 C25 B:Q0L801 4.6 24.9 1.0

M.Bratkowski, T.C.Burdett, J.Danao, X.Wang, P.Mathur, W.Gu, J.A.Beckstead, S.Talreja, Y.S.Yang, G.Danko, J.H.Park, M.Walton, S.P.Brown, C.M.Tegley, P.R.B.Joseph, C.H.Reynolds, S.Sambashivan. Uncompetitive, Adduct-Forming SARM1 Inhibitors Are Neuroprotective in Preclinical Models of Nerve Injury and Disease. Neuron V. 110 3711 2022.
ISSN: ISSN 0896-6273
PubMed: 36087583
DOI: 10.1016/J.NEURON.2022.08.017