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Manganese in PDB 7bih: Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.

Protein crystallography data

The structure of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State., PDB code: 7bih was solved by M.De March, S.Onesti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.30 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.149, 101.629, 91.078, 90, 96.08, 90
R / Rfree (%) 21.1 / 28.3

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. (pdb code 7bih). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State., PDB code: 7bih:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 7bih

Go back to Manganese Binding Sites List in 7bih
Manganese binding site 1 out of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:60.8
occ:1.00
OD2 A:ASP94 2.0 57.5 1.0
O1 A:PO4503 2.2 68.9 1.0
OD2 A:ASP45 2.3 74.2 1.0
OD1 A:ASP45 2.7 66.2 1.0
ND1 A:HIS43 2.7 66.7 1.0
O4 A:PO4503 2.8 77.0 1.0
CG A:ASP45 2.9 60.5 1.0
P A:PO4503 3.0 67.2 1.0
CG A:ASP94 3.0 59.5 1.0
MN A:MN502 3.0 52.2 1.0
OD1 A:ASP94 3.3 58.9 1.0
CE1 A:HIS43 3.4 73.3 1.0
CG A:HIS43 3.7 71.9 1.0
O3 A:PO4503 3.7 75.0 1.0
CB A:HIS43 4.1 70.4 1.0
OD1 A:ASP171 4.2 50.9 1.0
CB A:ASP47 4.2 52.7 1.0
O2 A:PO4503 4.3 57.8 1.0
CB A:ASP94 4.3 60.6 1.0
OD2 A:ASP47 4.3 69.8 1.0
CB A:ASP45 4.4 58.0 1.0
N A:GLY48 4.4 50.2 1.0
NE2 A:HIS43 4.5 75.9 1.0
OD2 A:ASP171 4.6 44.0 1.0
CD2 A:HIS43 4.7 74.3 1.0
CG A:ASP47 4.8 55.8 1.0
CG A:ASP171 4.8 45.0 1.0
O A:ASP94 5.0 73.5 1.0
CA A:GLY48 5.0 56.3 1.0

Manganese binding site 2 out of 4 in 7bih

Go back to Manganese Binding Sites List in 7bih
Manganese binding site 2 out of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn502

b:52.2
occ:1.00
O4 A:PO4503 1.9 77.0 1.0
OD1 A:ASP94 2.1 58.9 1.0
OD2 A:ASP47 2.1 69.8 1.0
OD2 A:ASP171 2.3 44.0 1.0
NE2 A:HIS115 2.5 38.0 1.0
CG A:ASP94 2.9 59.5 1.0
OD2 A:ASP94 3.0 57.5 1.0
MN A:MN501 3.0 60.8 1.0
CG A:ASP47 3.2 55.8 1.0
CG A:ASP171 3.2 45.0 1.0
P A:PO4503 3.3 67.2 1.0
CE1 A:HIS115 3.5 44.6 1.0
OD1 A:ASP171 3.5 50.9 1.0
CD2 A:HIS115 3.5 43.2 1.0
CB A:ASP47 3.5 52.7 1.0
O1 A:PO4503 3.8 68.9 1.0
O3 A:PO4503 4.2 75.0 1.0
O2 A:PO4503 4.2 57.8 1.0
CB A:ASP94 4.3 60.6 1.0
OD1 A:ASP47 4.3 61.7 1.0
N A:ALA145 4.5 47.5 1.0
CB A:ALA145 4.5 50.7 1.0
CB A:ASP171 4.6 44.7 1.0
ND1 A:HIS115 4.6 42.1 1.0
CG A:HIS115 4.7 43.8 1.0
CE1 A:HIS116 4.7 74.2 1.0
NE2 A:HIS427 4.8 56.9 1.0
OD2 A:ASP45 4.9 74.2 1.0
CB A:SER144 4.9 48.3 1.0
CA A:ASP94 4.9 62.5 1.0
CA A:ASP47 5.0 51.6 1.0
OD1 A:ASP45 5.0 66.2 1.0

Manganese binding site 3 out of 4 in 7bih

Go back to Manganese Binding Sites List in 7bih
Manganese binding site 3 out of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn501

b:64.5
occ:1.00
OD2 B:ASP94 1.8 67.1 1.0
O3 B:PO4504 2.1 82.5 1.0
ND1 B:HIS43 2.3 51.2 1.0
OD2 B:ASP45 2.3 49.3 1.0
OD1 B:ASP45 2.6 47.0 1.0
O2 B:PO4504 2.7 75.2 1.0
P B:PO4504 2.8 67.6 1.0
CG B:ASP45 2.8 44.5 1.0
CG B:ASP94 2.9 67.4 1.0
CE1 B:HIS43 3.0 49.5 1.0
CG B:HIS43 3.3 57.2 1.0
O4 B:PO4504 3.4 69.1 1.0
MN B:MN502 3.4 68.4 1.0
OD1 B:ASP94 3.4 68.2 1.0
CB B:HIS43 3.7 57.6 1.0
NE2 B:HIS43 4.1 53.3 1.0
CB B:ASP94 4.1 69.6 1.0
O1 B:PO4504 4.2 64.6 1.0
CD2 B:HIS43 4.3 57.5 1.0
CB B:ASP45 4.3 43.3 1.0
N B:GLY48 4.4 57.8 1.0
CB B:ASP47 4.5 74.6 1.0
OD2 B:ASP47 4.6 75.3 1.0
OD1 B:ASP171 4.7 70.3 1.0
O B:ASP94 4.7 61.9 1.0
CA B:GLY48 4.8 58.0 1.0
OD2 B:ASP171 5.0 64.6 1.0

Manganese binding site 4 out of 4 in 7bih

Go back to Manganese Binding Sites List in 7bih
Manganese binding site 4 out of 4 in the Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus in the Closed State. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn502

b:68.4
occ:1.00
O2 B:PO4504 2.1 75.2 1.0
OD2 B:ASP171 2.2 64.6 1.0
OD1 B:ASP94 2.2 68.2 1.0
OD2 B:ASP47 2.3 75.3 1.0
O4 B:PO4504 2.4 69.1 1.0
NE2 B:HIS115 2.6 63.8 1.0
P B:PO4504 2.8 67.6 1.0
CG B:ASP94 3.0 67.4 1.0
OD2 B:ASP94 3.1 67.1 1.0
CG B:ASP171 3.1 66.6 1.0
CG B:ASP47 3.3 75.3 1.0
MN B:MN501 3.4 64.5 1.0
OD1 B:ASP171 3.4 70.3 1.0
CE1 B:HIS115 3.5 68.7 1.0
CD2 B:HIS115 3.6 63.7 1.0
CB B:ASP47 3.6 74.6 1.0
O3 B:PO4504 3.7 82.5 1.0
O1 B:PO4504 3.9 64.6 1.0
NE2 B:HIS427 4.3 98.6 1.0
CB B:ASP94 4.4 69.6 1.0
OD1 B:ASP47 4.5 75.6 1.0
CB B:ASP171 4.5 64.3 1.0
CE1 B:HIS116 4.6 65.4 1.0
N B:ALA145 4.6 60.0 1.0
ND1 B:HIS115 4.6 70.9 1.0
CB B:ALA145 4.7 55.8 1.0
CG B:HIS115 4.7 63.1 1.0
OD2 B:ASP45 4.8 49.3 1.0
NE2 B:HIS116 4.9 61.5 1.0

Reference:

M.De March, S.Onesti. Crystal Structure of Recj-CDC45 From Methanothermobacter Thermoautotrophicus To Be Published.
Page generated: Sun Oct 6 08:08:24 2024

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