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Magnesium in PDB 9ci9: Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage

Enzymatic activity of Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage

All present enzymatic activity of Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage:
2.7.7.7;

Protein crystallography data

The structure of Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage, PDB code: 9ci9 was solved by R.Tomar, M.P.Stone, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.81 / 2.09
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 98.902, 98.902, 81.54, 90, 90, 120
R / Rfree (%) 15.8 / 20.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage (pdb code 9ci9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage, PDB code: 9ci9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 9ci9

Go back to Magnesium Binding Sites List in 9ci9
Magnesium binding site 1 out of 2 in the Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:32.9
occ:1.00
OE2 A:GLU116 2.0 42.4 1.0
O A:HOH630 2.3 23.5 1.0
OD1 A:ASP115 2.4 17.4 1.0
O1A A:0KX501 2.4 15.7 1.0
O3' P:DA8 2.6 30.4 1.0
CD A:GLU116 2.7 31.7 1.0
CG A:GLU116 2.8 28.7 1.0
OD2 A:ASP13 2.8 33.5 1.0
C3' P:DA8 3.1 28.1 1.0
OD1 A:ASP13 3.2 18.4 1.0
CG A:ASP115 3.2 18.0 1.0
CG A:ASP13 3.3 19.1 1.0
MG A:MG503 3.3 8.2 1.0
OD2 A:ASP115 3.4 13.9 1.0
PA A:0KX501 3.4 16.5 1.0
O2A A:0KX501 3.7 17.3 1.0
O5' A:0KX501 3.8 15.0 1.0
C4' P:DA8 4.0 21.9 1.0
OE1 A:GLU116 4.0 33.9 1.0
OG A:SER113 4.0 25.1 1.0
C5' A:0KX501 4.1 16.5 1.0
CB A:GLU116 4.3 18.1 1.0
O A:HOH722 4.3 29.8 1.0
C2' P:DA8 4.4 26.5 1.0
C5' P:DA8 4.4 29.7 1.0
O A:ASP115 4.6 17.1 1.0
C A:ASP115 4.6 18.8 1.0
CB A:ASP13 4.7 18.0 1.0
CB A:ASP115 4.7 13.8 1.0
NZ A:LYS224 4.7 38.2 1.0
O2G A:0KX501 4.7 14.1 1.0
N A:GLU116 4.8 15.9 1.0
O2B A:0KX501 4.9 12.3 1.0
N3A A:0KX501 4.9 17.0 1.0

Magnesium binding site 2 out of 2 in 9ci9

Go back to Magnesium Binding Sites List in 9ci9
Magnesium binding site 2 out of 2 in the Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Polymerase Eta with Incoming Dcmpnpp Nucleotide Across Threofuranosyl Thymidine in Dna Template at Extension Stage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:8.2
occ:1.00
OD1 A:ASP13 2.0 18.4 1.0
O1A A:0KX501 2.1 15.7 1.0
OD2 A:ASP115 2.1 13.9 1.0
O2G A:0KX501 2.2 14.1 1.0
O2B A:0KX501 2.2 12.3 1.0
O A:MET14 2.2 12.9 1.0
CG A:ASP13 3.2 19.1 1.0
CG A:ASP115 3.2 18.0 1.0
MG A:MG502 3.3 32.9 1.0
PB A:0KX501 3.3 12.7 1.0
PA A:0KX501 3.4 16.5 1.0
C A:MET14 3.4 14.3 1.0
PG A:0KX501 3.5 15.0 1.0
OD1 A:ASP115 3.6 17.4 1.0
OD2 A:ASP13 3.7 33.5 1.0
N3A A:0KX501 3.7 17.0 1.0
O3B A:0KX501 3.9 13.8 1.0
C5' A:0KX501 3.9 16.5 1.0
N A:MET14 3.9 15.0 1.0
O A:HOH722 3.9 29.8 1.0
NZ A:LYS231 4.0 15.5 1.0
O A:HOH630 4.0 23.5 1.0
O5' A:0KX501 4.1 15.0 1.0
CA A:MET14 4.2 13.7 1.0
O1G A:0KX501 4.2 15.1 1.0
C A:ASP13 4.3 16.7 1.0
CB A:ASP13 4.4 18.0 1.0
N A:ASP15 4.5 12.1 1.0
CB A:ASP115 4.5 13.8 1.0
O2A A:0KX501 4.6 17.3 1.0
O3G A:0KX501 4.6 13.1 1.0
O1B A:0KX501 4.7 14.2 1.0
CA A:ASP15 4.7 15.9 1.0
O A:ASP13 4.7 14.1 1.0
CB A:MET14 4.7 15.8 1.0
CA A:ASP13 4.7 13.3 1.0
CE A:LYS231 4.8 20.2 1.0
N A:CYS16 4.8 14.5 1.0
O A:ASP115 4.8 17.1 1.0
C A:ASP15 4.8 16.3 1.0
CB A:PHE17 4.8 12.4 1.0
N A:PHE17 4.9 12.6 1.0

Reference:

R.Tomar, P.P.Ghodke, A.Patra, E.Smyth, A.Pontarelli, W.Copp, F.P.Guengerich, J.J.Chaput, C.J.Wilds, M.P.Stone, M.Egli. Dna Replication Across Alpha-L-(3'-2')-Threofuranosyl Nucleotides Mediated By Human Dna Polymerase Eta. Biochemistry 2024.
ISSN: ISSN 0006-2960
PubMed: 39259676
DOI: 10.1021/ACS.BIOCHEM.4C00387
Page generated: Sat Aug 16 00:15:06 2025

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