Chlorine in PDB 9e70: Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound

The structure of Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound, PDB code: 9e70 was solved by G.J.Lockbaum, M.M.Lynes, E.A.Sickmier, S.Grigoriu, P.A.Boriack-Sjodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.91, 63.97, 363.15, 90, 90, 90
R / Rfree (%)	18.7 / 22.7

The structure of Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound (pdb code 9e70). 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 Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound, PDB code: 9e70:

Chlorine binding site 1 out of 1 in the Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human XRN1 with Adenosine-3',5'-Bisphosphate (Pap) Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl718 b:57.2 occ:1.00 O A:HOH1063 3.1 29.1 1.0 N A:TYR629 3.5 21.5 1.0 O A:TYR629 3.5 18.3 1.0 C2 A:PEG719 3.6 61.7 1.0 CG A:ARG628 3.7 30.5 1.0 CD1 A:TYR629 3.8 22.2 1.0 O A:HOH1081 3.9 48.4 1.0 CE1 A:TYR629 3.9 25.1 1.0 NH1 A:ARG628 4.1 32.6 1.0 CA A:ARG628 4.1 23.2 1.0 C A:ARG628 4.2 22.1 1.0 C A:TYR629 4.3 21.0 1.0 CG A:TYR629 4.4 19.8 1.0 CZ A:ARG628 4.4 35.4 1.0 CA A:TYR629 4.4 20.4 1.0 CB A:ARG628 4.5 27.5 1.0 CZ A:TYR629 4.5 26.2 1.0 C1 A:PEG719 4.5 54.9 1.0 NE A:ARG628 4.7 35.2 1.0 CD A:ARG628 4.7 37.4 1.0 O2 A:PEG719 4.7 68.7 1.0 C1 A:EDO715 4.8 30.4 1.0 O1 A:EDO715 4.9 36.8 1.0 C3 A:PEG719 4.9 70.1 1.0 NH2 A:ARG628 4.9 38.8 1.0 CD2 A:TYR629 4.9 22.4 1.0 CB A:TYR629 5.0 18.0 1.0

G.J.Lockbaum, E.A.Sickmier, S.Grigoriu, P.A.Boriack-Sjodin. Characterization of Exoribonuclease XRN1 As A Cancer Target and Identification of Adenosine-3',5'-Bisphosphate As A Potent Enzyme Inhibitor Commun Biol 2025.
ISSN: ESSN 2399-3642
DOI: 10.1038/S42003-025-08005-Y