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Magnesium in PDB 7m0e: Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp

Enzymatic activity of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp

All present enzymatic activity of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp:
2.7.7.7;

Protein crystallography data

The structure of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp, PDB code: 7m0e was solved by A.M.Kaminski, K.Bebenek, L.C.Pedersen, T.A.Kunkel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.16 / 2.25
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 64.966, 85.819, 91.421, 105.22, 92.58, 111.3
R / Rfree (%) 18.4 / 22.2

Other elements in 7m0e:

The structure of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp (pdb code 7m0e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp, PDB code: 7m0e:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 7m0e

Go back to Magnesium Binding Sites List in 7m0e
Magnesium binding site 1 out of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:24.1
occ:1.00
O2B A:DUP701 2.0 23.8 1.0
OD1 A:ASP427 2.1 24.3 1.0
O2G A:DUP701 2.1 23.8 1.0
OD2 A:ASP429 2.1 22.9 1.0
O2A A:DUP701 2.2 23.8 1.0
O A:HOH840 2.2 23.8 1.0
PB A:DUP701 3.1 24.6 1.0
CG A:ASP427 3.2 33.2 1.0
CG A:ASP429 3.2 24.7 1.0
PA A:DUP701 3.3 23.8 1.0
PG A:DUP701 3.3 24.6 1.0
N3A A:DUP701 3.5 24.5 1.0
O3B A:DUP701 3.5 23.8 1.0
OD1 A:ASP429 3.6 29.4 1.0
OD2 A:ASP427 3.7 36.5 1.0
O A:ASP427 4.0 25.8 1.0
O3G A:DUP701 4.0 26.9 1.0
C5' A:DUP701 4.1 23.8 1.0
OG A:SER417 4.1 26.7 1.0
O A:HOH870 4.2 35.5 1.0
O5' A:DUP701 4.2 24.4 1.0
N A:ASP427 4.2 27.3 1.0
O A:HOH812 4.2 29.1 1.0
N A:SER417 4.3 24.1 1.0
C A:ASP427 4.3 28.1 1.0
O1B A:DUP701 4.4 25.7 1.0
CA A:GLY416 4.4 25.2 1.0
O1A A:DUP701 4.4 30.6 1.0
CB A:ASP427 4.4 26.2 1.0
CB A:ASP429 4.5 23.0 1.0
O1G A:DUP701 4.5 35.9 1.0
CA A:ASP427 4.6 28.3 1.0
O A:HOH868 4.8 27.9 1.0
C A:GLY416 4.9 28.5 1.0
N A:ASP429 4.9 31.2 1.0
CB A:SER417 4.9 25.6 1.0
N A:VAL428 5.0 25.4 1.0

Magnesium binding site 2 out of 6 in 7m0e

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Magnesium binding site 2 out of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg101

b:27.3
occ:1.00
O J:HOH102 2.1 23.8 1.0
O F:HOH211 2.1 24.7 1.0
O F:HOH201 2.1 23.8 1.0
O J:HOH109 2.1 23.8 1.0
O F:HOH203 2.2 23.8 1.0
O J:HOH101 2.2 23.8 1.0
O5' F:DC1 3.7 29.5 1.0
OP2 F:DA2 4.0 29.9 1.0
O6 J:DG3 4.0 27.4 1.0
O5' J:DC1 4.0 23.5 1.0
N7 F:DA2 4.1 21.7 1.0
O6 F:DG3 4.1 22.6 1.0
OP2 J:DA2 4.2 33.9 1.0
O F:HOH207 4.2 43.5 1.0
N7 J:DA2 4.3 25.9 1.0
N7 F:DG3 4.5 26.9 1.0
N7 J:DG3 4.5 24.9 1.0
C8 F:DA2 4.6 23.5 1.0
C8 J:DA2 4.8 23.0 1.0
C5' J:DC1 4.8 24.7 1.0
C6 J:DG3 4.9 29.4 1.0
C5' F:DC1 4.9 25.6 1.0
C6 F:DG3 5.0 20.3 1.0

Magnesium binding site 3 out of 6 in 7m0e

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Magnesium binding site 3 out of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:30.1
occ:1.00
OD1 B:ASP427 1.9 27.5 1.0
O2A B:DUP603 2.0 25.5 1.0
O B:HOH717 2.1 29.0 1.0
O2B B:DUP603 2.1 25.7 1.0
OD2 B:ASP429 2.1 28.5 1.0
O1G B:DUP603 2.1 31.4 1.0
CG B:ASP427 3.0 30.3 1.0
CG B:ASP429 3.1 29.6 1.0
PB B:DUP603 3.2 29.8 1.0
PA B:DUP603 3.3 24.2 1.0
OD1 B:ASP429 3.4 29.9 1.0
OD2 B:ASP427 3.4 33.5 1.0
PG B:DUP603 3.4 32.4 1.0
N3A B:DUP603 3.5 27.7 1.0
O3B B:DUP603 3.7 23.8 1.0
O B:ASP427 4.0 38.9 1.0
O B:HOH748 4.0 38.7 1.0
C5' B:DUP603 4.0 26.1 1.0
O5' B:DUP603 4.2 26.1 1.0
OG B:SER417 4.2 35.2 1.0
O3G B:DUP603 4.2 32.8 1.0
C B:ASP427 4.2 28.9 1.0
N B:ASP427 4.2 32.9 1.0
CB B:ASP427 4.2 28.2 1.0
O B:HOH720 4.3 30.9 1.0
O1A B:DUP603 4.4 28.8 1.0
N B:SER417 4.4 32.4 1.0
CB B:ASP429 4.4 25.8 1.0
CA B:GLY416 4.4 28.0 1.0
CA B:ASP427 4.5 31.2 1.0
O1B B:DUP603 4.5 23.8 1.0
O2G B:DUP603 4.5 33.6 1.0
O B:HOH708 4.6 37.0 1.0
N B:ASP429 4.8 29.3 1.0
N B:VAL428 4.9 28.9 1.0
C B:GLY416 5.0 32.6 1.0

Magnesium binding site 4 out of 6 in 7m0e

Go back to Magnesium Binding Sites List in 7m0e
Magnesium binding site 4 out of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:37.8
occ:1.00
OD1 C:ASP427 2.0 32.1 1.0
O1B C:DUP603 2.1 39.2 1.0
O1A C:DUP603 2.1 29.0 1.0
O2G C:DUP603 2.1 38.0 1.0
OD2 C:ASP429 2.1 32.3 1.0
O C:HOH719 2.2 32.3 1.0
CG C:ASP427 3.1 33.4 1.0
CG C:ASP429 3.1 34.9 1.0
PB C:DUP603 3.1 37.8 1.0
PG C:DUP603 3.3 36.4 1.0
PA C:DUP603 3.3 32.4 1.0
O3B C:DUP603 3.5 34.1 1.0
OD1 C:ASP429 3.5 36.4 1.0
OD2 C:ASP427 3.6 37.4 1.0
N3A C:DUP603 3.6 35.6 1.0
O C:ASP427 3.9 44.1 1.0
O3G C:DUP603 3.9 41.7 1.0
OG C:SER417 4.2 38.4 1.0
C C:ASP427 4.2 41.2 1.0
N C:ASP427 4.2 34.5 1.0
C5' C:DUP603 4.3 32.1 1.0
O5' C:DUP603 4.3 36.2 1.0
CB C:ASP427 4.3 34.3 1.0
O2A C:DUP603 4.4 29.4 1.0
N C:SER417 4.4 35.4 1.0
O2B C:DUP603 4.5 31.7 1.0
CB C:ASP429 4.5 32.3 1.0
CA C:ASP427 4.5 34.8 1.0
CA C:GLY416 4.5 33.6 1.0
O1G C:DUP603 4.5 34.4 1.0
N C:ASP429 4.9 30.6 1.0
N C:VAL428 4.9 34.9 1.0
CB C:SER417 5.0 37.3 1.0

Magnesium binding site 5 out of 6 in 7m0e

Go back to Magnesium Binding Sites List in 7m0e
Magnesium binding site 5 out of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg101

b:37.0
occ:1.00
O N:HOH201 2.0 28.8 1.0
O N:HOH209 2.0 25.8 1.0
O R:HOH101 2.1 38.6 1.0
O R:HOH103 2.2 29.7 1.0
O R:HOH107 2.2 29.5 1.0
O N:HOH202 2.3 36.7 1.0
O5' R:DC1 3.9 30.7 1.0
O6 N:DG3 4.0 31.1 1.0
OP2 R:DA2 4.0 42.0 1.0
N7 R:DA2 4.1 38.0 1.0
O N:HOH203 4.1 39.6 1.0
O6 R:DG3 4.2 36.8 1.0
N7 N:DA2 4.2 37.8 1.0
O5' N:DC1 4.3 35.5 1.0
OP2 N:DA2 4.3 45.1 1.0
N7 N:DG3 4.3 32.6 1.0
O N:HOH214 4.4 47.4 1.0
C8 R:DA2 4.6 29.7 1.0
N7 R:DG3 4.7 34.1 1.0
C8 N:DA2 4.7 37.9 1.0
C5' R:DC1 4.7 34.5 1.0
C6 N:DG3 4.8 31.4 1.0
C5 N:DG3 5.0 34.6 1.0

Magnesium binding site 6 out of 6 in 7m0e

Go back to Magnesium Binding Sites List in 7m0e
Magnesium binding site 6 out of 6 in the Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Pre-Catalytic Synaptic Complex of Dna Polymerase Lambda with Gapped Dsb Substrate and Incoming Dumpnpp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:48.2
occ:1.00
O1B D:DUP603 1.9 41.5 1.0
O D:HOH707 2.0 47.8 1.0
OD1 D:ASP427 2.0 51.7 1.0
O1A D:DUP603 2.1 30.9 1.0
O3G D:DUP603 2.1 51.9 1.0
OD2 D:ASP429 2.2 59.2 1.0
PB D:DUP603 3.0 45.9 1.0
CG D:ASP427 3.2 56.3 1.0
PA D:DUP603 3.3 44.1 1.0
CG D:ASP429 3.3 61.3 1.0
PG D:DUP603 3.3 53.6 1.0
N3A D:DUP603 3.4 45.6 1.0
O3B D:DUP603 3.5 52.4 1.0
OD1 D:ASP429 3.8 59.2 1.0
OD2 D:ASP427 3.8 67.8 1.0
OG D:SER417 3.8 63.9 1.0
O D:ASP427 3.9 58.0 1.0
O2G D:DUP603 3.9 47.5 1.0
N D:SER417 4.0 56.1 1.0
C5' D:DUP603 4.0 50.3 1.0
O5' D:DUP603 4.1 48.4 1.0
CA D:GLY416 4.2 58.9 1.0
C D:ASP427 4.3 63.6 1.0
O2B D:DUP603 4.3 42.9 1.0
N D:ASP427 4.3 57.0 1.0
O2A D:DUP603 4.4 41.2 1.0
CB D:ASP427 4.4 51.4 1.0
CB D:ASP429 4.5 62.8 1.0
O1G D:DUP603 4.5 53.3 1.0
CA D:ASP427 4.6 63.9 1.0
C D:GLY416 4.7 56.8 1.0
CB D:SER417 4.7 56.5 1.0
CA D:SER417 5.0 57.4 1.0

Reference:

A.M.Kaminski, K.Bebenek, T.A.Kunkel, L.C.Pedersen. Comprehensive Structural Survey of Dna Double-Strand Break Synapsis By Dna Polymerase Lambda To Be Published.
Page generated: Wed Oct 2 23:38:17 2024

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