Zinc in PDB 9l43: Atr Spiral -Atrip Bound with Ve-822

All present enzymatic activity of Atr Spiral -Atrip Bound with Ve-822:
2.7.11.1;

The binding sites of Zinc atom in the Atr Spiral -Atrip Bound with Ve-822 (pdb code 9l43). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Atr Spiral -Atrip Bound with Ve-822, PDB code: 9l43:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Atr Spiral -Atrip Bound with Ve-822


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Atr Spiral -Atrip Bound with Ve-822 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn801 b:50.0 occ:1.00 SG D:CYS630 1.4 95.5 1.0 SG D:CYS680 1.6 112.1 1.0 SG D:CYS624 1.8 96.8 1.0 SG D:CYS682 1.9 107.4 1.0 CB D:CYS680 2.6 112.1 1.0 HB2 D:CYS680 2.6 112.1 1.0 HB2 D:CYS682 2.7 107.4 1.0 HB3 D:CYS680 2.8 112.1 1.0 CB D:CYS624 2.9 96.8 1.0 HB2 D:CYS624 2.9 96.8 1.0 CB D:CYS682 2.9 107.4 1.0 CB D:CYS630 2.9 95.5 1.0 HB2 D:CYS630 3.0 95.5 1.0 HB3 D:CYS624 3.2 96.8 1.0 H D:CYS682 3.3 107.4 1.0 HB3 D:CYS682 3.4 107.4 1.0 HB3 D:CYS630 3.5 95.5 1.0 HA D:SER627 3.7 106.6 1.0 O D:CYS630 3.7 95.5 1.0 O D:SER627 3.8 106.6 1.0 CA D:CYS630 4.0 95.5 1.0 CA D:CYS680 4.0 112.1 1.0 N D:CYS682 4.0 107.4 1.0 CA D:CYS682 4.1 107.4 1.0 HA D:CYS624 4.1 96.8 1.0 CA D:CYS624 4.2 96.8 1.0 HA D:CYS680 4.2 112.1 1.0 H D:GLN681 4.2 109.3 1.0 HA D:CYS630 4.2 95.5 1.0 CB D:LEU632 4.2 76.2 1.0 HG3 D:GLN681 4.3 109.3 1.0 HE21 D:GLN681 4.3 109.3 1.0 C D:CYS630 4.3 95.5 1.0 O D:HIS626 4.5 100.2 1.0 C D:SER627 4.5 106.6 1.0 N D:GLN681 4.5 109.3 1.0 CA D:SER627 4.5 106.6 1.0 C D:CYS680 4.6 112.1 1.0 HA D:CYS682 4.6 107.4 1.0 O D:CYS624 4.7 96.8 1.0 O D:LEU632 4.9 76.2 1.0 C D:CYS624 4.9 96.8 1.0

Zinc binding site 2 out of 2 in the Atr Spiral -Atrip Bound with Ve-822


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Atr Spiral -Atrip Bound with Ve-822 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn801 b:50.0 occ:1.00 SG C:CYS680 1.4 105.6 1.0 SG C:CYS630 1.5 90.8 1.0 SG C:CYS624 1.8 50.0 1.0 SG C:CYS682 2.0 94.9 1.0 CB C:CYS630 2.4 90.8 1.0 HB2 C:CYS630 2.4 90.8 1.0 CB C:CYS680 2.5 105.6 1.0 HB3 C:CYS630 2.7 90.8 1.0 HB3 C:CYS680 2.7 105.6 1.0 HB2 C:CYS680 2.7 105.6 1.0 HD21 C:ASN683 2.8 93.0 1.0 HD22 C:ASN683 2.9 93.0 1.0 ND2 C:ASN683 3.1 93.0 1.0 CB C:CYS624 3.2 50.0 1.0 HB3 C:CYS624 3.3 50.0 1.0 CB C:CYS682 3.5 94.9 1.0 HB3 C:CYS682 3.6 94.9 1.0 HA C:CYS624 3.8 85.3 1.0 CA C:CYS624 3.8 85.3 1.0 CA C:CYS680 3.8 105.6 1.0 CA C:CYS630 3.8 90.8 1.0 HA C:CYS680 3.8 105.6 1.0 HB2 C:CYS624 3.9 50.0 1.0 HB2 C:CYS682 4.0 94.9 1.0 H C:ASN683 4.1 93.0 1.0 HA C:CYS630 4.1 90.8 1.0 H C:CYS624 4.2 85.3 1.0 N C:CYS624 4.3 85.3 1.0 HB2 C:LEU632 4.3 79.3 1.0 N C:ASN683 4.3 93.0 1.0 CG C:ASN683 4.3 93.0 1.0 H C:CYS682 4.4 94.9 1.0 CA C:CYS682 4.5 94.9 1.0 HB2 C:ASN683 4.5 93.0 1.0 C C:CYS682 4.6 94.9 1.0 N C:CYS680 4.7 105.6 1.0 C C:CYS630 4.7 90.8 1.0 C C:CYS680 4.8 105.6 1.0 H C:CYS630 4.8 90.8 1.0 N C:CYS682 4.8 94.9 1.0 N C:CYS630 4.8 90.8 1.0 CB C:ASN683 4.9 93.0 1.0 HD13 C:LEU632 5.0 79.3 1.0

G.Wang, P.Wang, Z.Zheng, Q.Zhang, C.Xu, X.Xu, L.Jian, Z.Zhao, G.Cai, X.Wang. Molecular Architecture and Inhibition Mechanism of Human Atr-Atrip Sci Bull (Beijing) 2025.
ISSN: ESSN 2095-9281
DOI: 10.1016/J.SCIB.2025.05.009