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Sodium in PDB 6ctq: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp, PDB code: 6ctq was solved by V.K.Batra, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.07 / 1.87
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.894, 79.789, 55.414, 90.00, 107.65, 90.00
R / Rfree (%) 17.5 / 22.8

Other elements in 6ctq:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp (pdb code 6ctq). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp, PDB code: 6ctq:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 6ctq

Go back to Sodium Binding Sites List in 6ctq
Sodium binding site 1 out of 3 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Na101

b:22.2
occ:1.00
O A:THR101 2.3 24.2 1.0
O A:ILE106 2.4 19.5 1.0
O A:VAL103 2.4 21.1 1.0
OP1 P:DG9 2.5 24.3 1.0
O P:HOH207 2.5 24.1 1.0
O A:HOH819 2.7 26.5 1.0
C A:THR101 3.3 23.6 1.0
C A:VAL103 3.4 17.9 1.0
C A:ILE106 3.4 22.5 1.0
P P:DG9 3.6 24.6 1.0
O A:HOH723 3.8 41.8 1.0
N A:ILE106 3.8 21.5 1.0
OP2 P:DG9 3.8 25.3 1.0
CA A:THR101 3.9 22.3 1.0
CA A:SER104 4.0 21.1 1.0
N A:VAL103 4.0 21.2 1.0
N A:GLY105 4.0 20.8 1.0
CA A:ILE106 4.1 20.4 1.0
N A:SER104 4.1 17.1 1.0
C A:ARG102 4.3 24.6 1.0
N A:ARG102 4.3 20.5 1.0
CA A:VAL103 4.4 20.4 1.0
C A:SER104 4.4 22.0 1.0
N A:GLY107 4.4 20.5 1.0
CB A:THR101 4.4 25.0 1.0
CB A:ILE106 4.4 24.3 1.0
O3' P:DC8 4.5 24.4 1.0
CA A:ARG102 4.6 22.9 1.0
C A:GLY105 4.7 22.1 1.0
CA A:GLY107 4.7 22.3 1.0
O A:ARG102 4.8 26.2 1.0
O A:LEU100 4.8 20.4 1.0
O5' P:DG9 4.8 25.2 1.0
CA A:GLY105 4.9 24.9 1.0

Sodium binding site 2 out of 3 in 6ctq

Go back to Sodium Binding Sites List in 6ctq
Sodium binding site 2 out of 3 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na101

b:28.3
occ:1.00
O A:LEU62 2.3 25.3 1.0
O A:VAL65 2.4 24.4 1.0
O A:LYS60 2.4 26.1 1.0
O A:HOH728 2.6 31.1 1.0
OP1 D:DC3 2.7 25.5 1.0
O D:HOH210 2.7 31.9 1.0
C A:LEU62 3.3 23.8 1.0
C A:LYS60 3.5 25.3 1.0
C A:VAL65 3.5 23.2 1.0
P D:DC3 3.7 28.2 1.0
N A:VAL65 3.9 23.2 1.0
OP2 D:DC3 3.9 22.9 1.0
N A:LEU62 3.9 27.0 1.0
C A:LYS61 4.0 30.5 1.0
CA A:VAL65 4.1 24.2 1.0
CA A:PRO63 4.1 26.6 1.0
N A:PRO63 4.1 26.5 1.0
CA A:LYS60 4.2 27.6 1.0
N A:GLY64 4.3 24.2 1.0
CA A:LEU62 4.3 25.4 1.0
O A:LYS61 4.3 30.1 1.0
CB A:VAL65 4.4 22.1 1.0
N A:LYS61 4.4 29.5 1.0
CG A:LYS60 4.5 31.1 1.0
CA A:LYS61 4.5 28.4 1.0
N A:GLY66 4.6 24.8 1.0
C A:PRO63 4.6 27.0 1.0
O3' D:DT2 4.6 27.4 1.0
O A:ALA59 4.8 25.7 1.0
CA A:GLY66 4.9 29.9 1.0
C A:GLY64 4.9 27.1 1.0
O5' D:DC3 4.9 30.3 1.0
CB A:LYS60 5.0 32.0 1.0

Sodium binding site 3 out of 3 in 6ctq

Go back to Sodium Binding Sites List in 6ctq
Sodium binding site 3 out of 3 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Dctp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na401

b:18.4
occ:1.00
OD1 A:ASP192 2.2 18.5 1.0
OD2 A:ASP190 2.3 23.1 1.0
OD2 A:ASP256 2.3 23.8 1.0
O P:HOH212 2.3 29.3 1.0
O2A A:DCP404 2.4 18.5 1.0
CG A:ASP190 2.9 19.9 1.0
OD1 A:ASP190 3.0 17.9 1.0
CG A:ASP192 3.2 20.2 1.0
PA A:DCP404 3.5 18.8 1.0
OD2 A:ASP192 3.5 20.7 1.0
CG A:ASP256 3.5 22.6 1.0
MG A:MG402 3.5 18.1 1.0
O5' A:DCP404 3.7 17.6 1.0
C3' P:2DA10 3.8 22.4 1.0
O1A A:DCP404 3.9 19.9 1.0
C5' A:DCP404 4.0 19.2 1.0
CB A:ASP256 4.1 22.4 1.0
O A:HOH700 4.2 28.7 1.0
O A:HOH542 4.2 26.4 1.0
CB A:ASP190 4.3 19.4 1.0
C5' P:2DA10 4.3 24.5 1.0
OD1 A:ASP256 4.4 21.2 1.0
C4' P:2DA10 4.5 26.0 1.0
CB A:ASP192 4.5 19.7 1.0
O3G A:DCP404 4.6 18.3 1.0
O A:MET191 4.6 17.2 1.0
O5' P:2DA10 4.7 26.0 1.0
OP1 P:2DA10 4.7 21.5 1.0
NH2 A:ARG254 4.8 21.6 1.0
O3A A:DCP404 4.9 20.4 1.0
C A:MET191 5.0 18.6 1.0

Reference:

V.K.Batra, K.Oertell, W.A.Beard, B.A.Kashemirov, C.E.Mckenna, M.F.Goodman, S.H.Wilson. Mapping Functional Substrate-Enzyme Interactions in the Pol Beta Active Site Through Chemical Biology: Structural Responses to Acidity Modification of Incoming Dntps. Biochemistry V. 57 3934 2018.
ISSN: ISSN 1520-4995
PubMed: 29874056
DOI: 10.1021/ACS.BIOCHEM.8B00418
Page generated: Tue Oct 8 06:45:35 2024

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