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Manganese in PDB 5hrl: The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.

Protein crystallography data

The structure of The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex., PDB code: 5hrl was solved by Y.Q.Chen, J.Zhang, J.H.Gan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.99 / 2.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 124.651, 71.348, 86.922, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 25.7

Manganese Binding Sites:

The binding sites of Manganese atom in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. (pdb code 5hrl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex., PDB code: 5hrl:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 5hrl

Go back to Manganese Binding Sites List in 5hrl
Manganese binding site 1 out of 4 in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:38.6
occ:1.00
OD1 A:ASP49 2.0 38.1 1.0
O A:HOH301 2.0 36.0 1.0
O2B A:DGT201 2.0 27.8 1.0
O2A A:DGT201 2.0 35.8 1.0
O2G A:DGT201 2.1 33.0 1.0
OD2 A:ASP51 2.1 44.3 1.0
CG A:ASP49 2.9 45.8 1.0
CG A:ASP51 3.1 42.5 1.0
OD2 A:ASP49 3.1 46.8 1.0
PB A:DGT201 3.2 32.1 1.0
PA A:DGT201 3.2 31.2 1.0
MN A:MN203 3.2 53.2 0.2
PG A:DGT201 3.3 34.9 1.0
O3A A:DGT201 3.4 25.7 1.0
OD1 A:ASP51 3.4 42.7 1.0
O3B A:DGT201 3.6 37.8 1.0
OG A:SER39 3.9 40.9 1.0
O A:HOH304 3.9 47.9 1.0
O3G A:DGT201 4.1 39.1 1.0
O A:ASP49 4.1 40.1 1.0
C5' A:DGT201 4.1 38.4 1.0
O A:HOH309 4.1 46.8 1.0
O5' A:DGT201 4.2 39.2 1.0
CB A:ASP49 4.3 42.4 1.0
O1A A:DGT201 4.4 27.7 1.0
N A:SER39 4.4 36.2 1.0
C A:ASP49 4.4 40.5 1.0
O1G A:DGT201 4.4 38.9 1.0
O A:HOH310 4.5 49.6 1.0
CB A:ASP51 4.5 43.7 1.0
OD2 A:ASP100 4.6 71.7 1.0
N A:ASP49 4.6 42.0 1.0
O1B A:DGT201 4.6 26.6 1.0
CA A:ASP49 4.7 41.3 1.0
CA A:GLY38 4.8 39.1 1.0
CB A:SER39 4.9 35.3 1.0

Manganese binding site 2 out of 4 in 5hrl

Go back to Manganese Binding Sites List in 5hrl
Manganese binding site 2 out of 4 in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn203

b:53.2
occ:0.20
OD1 A:ASP51 2.0 42.7 1.0
OD2 A:ASP100 2.0 71.7 1.0
O2A A:DGT201 2.0 35.8 1.0
CG A:ASP51 3.0 42.5 1.0
OD1 A:ASP49 3.1 38.1 1.0
PA A:DGT201 3.1 31.2 1.0
O A:HOH310 3.2 49.6 1.0
CG A:ASP100 3.2 59.7 1.0
MN A:MN202 3.2 38.6 1.0
OD2 A:ASP51 3.2 44.3 1.0
O5' A:DGT201 3.5 39.2 1.0
C5' A:DGT201 3.5 38.4 1.0
CG A:ASP49 3.5 45.8 1.0
OD2 A:ASP49 3.6 46.8 1.0
CB A:ASP100 3.9 55.3 1.0
O1A A:DGT201 3.9 27.7 1.0
C5' D:DA9 4.2 43.8 1.0
OD1 A:ASP100 4.2 62.2 1.0
CB A:ASP51 4.3 43.7 1.0
C4' D:DA9 4.4 43.9 1.0
CZ A:PHE102 4.5 48.1 1.0
O5' D:DA9 4.5 47.0 1.0
O3A A:DGT201 4.5 25.7 1.0
O2G A:DGT201 4.5 33.0 1.0
O2B A:DGT201 4.6 27.8 1.0
O A:HOH304 4.6 47.9 1.0
CB A:ASP49 4.7 42.4 1.0
C3' D:DA9 4.7 44.9 1.0
CE1 A:PHE102 4.8 47.7 1.0
C4' A:DGT201 5.0 39.9 1.0

Manganese binding site 3 out of 4 in 5hrl

Go back to Manganese Binding Sites List in 5hrl
Manganese binding site 3 out of 4 in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn202

b:41.4
occ:1.00
OD1 B:ASP49 2.0 37.4 1.0
O1B B:DGT201 2.0 28.4 1.0
O1A B:DGT201 2.0 41.1 1.0
O B:HOH305 2.0 39.2 1.0
O1G B:DGT201 2.1 38.7 1.0
OD2 B:ASP51 2.1 39.2 1.0
CG B:ASP49 2.9 49.2 1.0
CG B:ASP51 3.1 37.1 1.0
PB B:DGT201 3.1 34.1 1.0
OD2 B:ASP49 3.1 49.5 1.0
MN B:MN203 3.2 54.6 0.2
PA B:DGT201 3.3 37.9 1.0
PG B:DGT201 3.3 37.7 1.0
OD1 B:ASP51 3.4 39.6 1.0
O3A B:DGT201 3.5 32.5 1.0
O3B B:DGT201 3.6 41.6 1.0
O2G B:DGT201 3.9 40.5 1.0
OG B:SER39 3.9 37.9 1.0
O B:ASP49 4.1 40.3 1.0
O B:HOH307 4.1 45.6 1.0
C5' B:DGT201 4.1 38.6 1.0
CB B:ASP49 4.3 44.3 1.0
O5' B:DGT201 4.3 40.3 1.0
O2A B:DGT201 4.4 39.3 1.0
C B:ASP49 4.4 40.9 1.0
N B:SER39 4.4 37.8 1.0
CB B:ASP51 4.4 38.2 1.0
O3G B:DGT201 4.5 44.7 1.0
N B:ASP49 4.6 41.4 1.0
O2B B:DGT201 4.6 29.5 1.0
OD2 B:ASP100 4.6 61.0 1.0
CA B:ASP49 4.7 41.4 1.0
CB B:SER39 4.9 34.1 1.0
CA B:GLY38 4.9 43.3 1.0

Manganese binding site 4 out of 4 in 5hrl

Go back to Manganese Binding Sites List in 5hrl
Manganese binding site 4 out of 4 in the The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of The Crystal Structure of Asfvpolx: 1NT-Gap(P) DNA2: Dgtp Ternary Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn203

b:54.6
occ:0.20
O1A B:DGT201 2.0 41.1 1.0
OD1 B:ASP51 2.0 39.6 1.0
OD2 B:ASP100 2.1 61.0 1.0
CG B:ASP51 3.0 37.1 1.0
PA B:DGT201 3.0 37.9 1.0
OD1 B:ASP49 3.0 37.4 1.0
MN B:MN202 3.2 41.4 1.0
OD2 B:ASP51 3.2 39.2 1.0
CG B:ASP100 3.3 51.0 1.0
O5' B:DGT201 3.4 40.3 1.0
CG B:ASP49 3.5 49.2 1.0
C5' B:DGT201 3.5 38.6 1.0
OD2 B:ASP49 3.6 49.5 1.0
O2A B:DGT201 3.7 39.3 1.0
CB B:ASP100 3.9 45.6 1.0
C5' G:DA9 4.1 49.5 1.0
OD1 B:ASP100 4.3 54.1 1.0
C4' G:DA9 4.3 44.8 1.0
CB B:ASP51 4.3 38.2 1.0
O3A B:DGT201 4.4 32.5 1.0
O1G B:DGT201 4.4 38.7 1.0
O5' G:DA9 4.4 49.9 1.0
C3' G:DA9 4.5 43.0 1.0
O1B B:DGT201 4.5 28.4 1.0
CZ B:PHE102 4.5 36.1 1.0
CB B:ASP49 4.7 44.3 1.0
CE1 B:PHE102 4.8 36.1 1.0
O B:HOH305 5.0 39.2 1.0
C4' B:DGT201 5.0 40.6 1.0

Reference:

Y.Q.Chen, J.Zhang, J.H.Gan. The Crystal Structure of Se-Asfvpolx(L52/163M Mutant) in Complex with 1NT-Gap DNA1 To Be Published.
Page generated: Sun Oct 6 00:33:35 2024

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