Zinc in PDB 2n8a: 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break

All present enzymatic activity of 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break:
2.4.2.30;

The binding sites of Zinc atom in the 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break (pdb code 2n8a). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break, PDB code: 2n8a:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1000 b:18.9 occ:1.00 ND1 A:HIS53 2.0 18.0 1.0 SG A:CYS21 2.3 17.3 1.0 SG A:CYS56 2.3 17.5 1.0 SG A:CYS24 2.3 25.7 1.0 HB2 A:HIS53 2.9 0.0 1.0 CE1 A:HIS53 3.0 24.4 1.0 HB2 A:CYS21 3.0 0.0 1.0 CB A:CYS21 3.0 15.8 1.0 H A:HIS53 3.1 0.0 1.0 HB3 A:CYS21 3.1 0.0 1.0 CG A:HIS53 3.1 18.3 1.0 HE1 A:HIS53 3.1 0.0 1.0 H A:CYS24 3.1 0.0 1.0 CB A:CYS56 3.3 16.2 1.0 HB2 A:CYS56 3.4 0.0 1.0 HB3 A:CYS24 3.4 0.0 1.0 HB3 A:CYS56 3.4 0.0 1.0 CB A:CYS24 3.5 17.6 1.0 CB A:HIS53 3.5 17.2 1.0 HB3 A:LYS23 3.7 0.0 1.0 N A:HIS53 4.0 13.4 1.0 N A:CYS24 4.0 27.4 1.0 HD3 A:LYS23 4.0 0.0 1.0 HB2 A:GLU26 4.1 0.0 1.0 NE2 A:HIS53 4.1 23.9 1.0 CD2 A:HIS53 4.2 23.3 1.0 HB2 A:CYS24 4.3 0.0 1.0 HB3 A:HIS53 4.3 0.0 1.0 CA A:CYS24 4.3 17.4 1.0 H A:GLU26 4.4 0.0 1.0 CA A:HIS53 4.4 15.9 1.0 CA A:CYS21 4.5 15.0 1.0 H A:LYS23 4.5 0.0 1.0 H A:CYS56 4.5 0.0 1.0 HA A:TYR52 4.6 0.0 1.0 H A:SER25 4.6 0.0 1.0 CA A:CYS56 4.7 18.3 1.0 CB A:LYS23 4.8 15.3 1.0 HA A:CYS21 4.8 0.0 1.0 HZ1 A:LYS23 4.8 0.0 1.0 C A:CYS24 4.9 21.0 1.0

Zinc binding site 2 out of 2 in the 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 1H, 13C and 15N Chemical Shift Assignments and Solution Structure For Parp-1 F1F2 Domains in Complex with A Dna Single-Strand Break within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:45.7 occ:1.00 ND1 A:HIS159 2.0 40.4 1.0 SG A:CYS125 2.3 48.6 1.0 SG A:CYS162 2.3 45.5 1.0 SG A:CYS128 2.3 48.4 1.0 HB2 A:HIS159 2.9 0.0 1.0 CE1 A:HIS159 3.0 39.3 1.0 CG A:HIS159 3.1 41.3 1.0 HB3 A:CYS125 3.1 0.0 1.0 CB A:CYS125 3.1 42.5 1.0 HE1 A:HIS159 3.1 0.0 1.0 H A:HIS159 3.2 0.0 1.0 H A:CYS128 3.3 0.0 1.0 HB2 A:CYS125 3.3 0.0 1.0 CB A:CYS162 3.3 40.2 1.0 HB2 A:CYS162 3.4 0.0 1.0 HB3 A:CYS128 3.4 0.0 1.0 HB3 A:CYS162 3.5 0.0 1.0 CB A:HIS159 3.5 39.0 1.0 CB A:CYS128 3.5 47.0 1.0 N A:CYS128 3.9 48.5 1.0 N A:HIS159 4.0 41.6 1.0 HB2 A:GLU130 4.1 0.0 1.0 NE2 A:HIS159 4.1 37.1 1.0 CD2 A:HIS159 4.2 32.5 1.0 HB3 A:HIS159 4.3 0.0 1.0 HB2 A:CYS128 4.3 0.0 1.0 H A:GLY127 4.3 0.0 1.0 CA A:CYS128 4.4 46.6 1.0 H A:GLU130 4.4 0.0 1.0 CA A:HIS159 4.5 35.9 1.0 H A:CYS162 4.5 0.0 1.0 CA A:CYS125 4.6 42.2 1.0 HA3 A:GLY127 4.7 0.0 1.0 HA A:TYR158 4.7 0.0 1.0 CA A:CYS162 4.7 40.2 1.0 H A:MET129 4.8 0.0 1.0 C A:GLY127 4.9 46.5 1.0 C A:CYS125 5.0 43.7 1.0

S.Eustermann, W.F.Wu, M.F.Langelier, J.C.Yang, L.E.Easton, A.A.Riccio, J.M.Pascal, D.Neuhaus. Structural Basis of Detection and Signaling of Dna Single-Strand Breaks By Human Parp-1. Mol.Cell V. 60 742 2015.
ISSN: ISSN 1097-2765
PubMed: 26626479
DOI: 10.1016/J.MOLCEL.2015.10.032