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Manganese in PDB 2ef5: Crystal Structure of the Arginase From Thermus Thermophilus

Enzymatic activity of Crystal Structure of the Arginase From Thermus Thermophilus

All present enzymatic activity of Crystal Structure of the Arginase From Thermus Thermophilus:
3.5.3.1;

Protein crystallography data

The structure of Crystal Structure of the Arginase From Thermus Thermophilus, PDB code: 2ef5 was solved by T.S.Kumarevel, P.Karthe, S.Kuramitsu, S.Yokoyama, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.98 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 150.795, 97.478, 126.463, 90.00, 108.66, 90.00
R / Rfree (%) 23.3 / 23.6

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Manganese atom in the Crystal Structure of the Arginase From Thermus Thermophilus (pdb code 2ef5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the Crystal Structure of the Arginase From Thermus Thermophilus, PDB code: 2ef5:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 12 in 2ef5

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Manganese binding site 1 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


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 the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1101

b:42.2
occ:1.00
OD2 A:ASP220 2.2 28.5 1.0
OD1 A:ASP119 2.2 22.4 1.0
OD2 A:ASP218 2.5 27.2 1.0
ND1 A:HIS121 2.8 30.3 1.0
MN A:MN1102 2.9 28.2 1.0
CG A:ASP220 3.0 22.6 1.0
CG A:ASP119 3.1 22.0 1.0
OD1 A:ASP220 3.1 23.8 1.0
CG A:ASP218 3.1 23.3 1.0
O A:HOH3048 3.2 44.1 1.0
OD2 A:ASP119 3.3 22.9 1.0
OD1 A:ASP218 3.6 23.1 1.0
CG A:HIS121 3.7 29.2 1.0
CE1 A:HIS121 3.7 32.0 1.0
CB A:HIS121 3.8 26.4 1.0
O A:HOH3067 3.8 27.4 1.0
O A:HOH3049 4.0 45.0 1.0
N A:HIS121 4.0 21.0 1.0
CB A:ASP218 4.1 20.5 1.0
CB A:ASP220 4.4 20.0 1.0
N A:ALA120 4.4 19.1 1.0
CB A:ASP119 4.5 20.9 1.0
CA A:HIS121 4.5 24.0 1.0
OD2 A:ASP123 4.6 22.7 1.0
OD1 A:ASP123 4.6 24.8 1.0
CD2 A:HIS121 4.8 31.3 1.0
NE2 A:HIS121 4.9 33.5 1.0
C A:ALA120 4.9 20.9 1.0
ND1 A:HIS97 4.9 21.1 1.0
CG A:GLU263 5.0 26.1 1.0
CA A:ASP119 5.0 18.1 1.0

Manganese binding site 2 out of 12 in 2ef5

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Manganese binding site 2 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


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 the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1102

b:28.2
occ:1.00
OD2 A:ASP119 2.1 22.9 1.0
ND1 A:HIS97 2.2 21.1 1.0
OD2 A:ASP123 2.2 22.7 1.0
OD2 A:ASP218 2.4 27.2 1.0
MN A:MN1101 2.9 42.2 1.0
CG A:ASP119 3.1 22.0 1.0
CG A:ASP123 3.1 24.6 1.0
CE1 A:HIS97 3.1 21.6 1.0
CG A:HIS97 3.2 23.2 1.0
OD1 A:ASP123 3.3 24.8 1.0
OD1 A:ASP119 3.4 22.4 1.0
CG A:ASP218 3.5 23.3 1.0
CB A:HIS97 3.5 21.4 1.0
O A:HOH3048 3.7 44.1 1.0
CB A:ASP218 3.9 20.5 1.0
NE1 A:TRP117 4.1 19.8 1.0
NE2 A:HIS97 4.3 22.4 1.0
CD2 A:HIS97 4.3 21.0 1.0
CB A:ASP119 4.4 20.9 1.0
O A:HOH3049 4.4 45.0 1.0
CB A:ASP123 4.5 24.8 1.0
OD1 A:ASP218 4.6 23.1 1.0
CG A:GLU263 4.7 26.1 1.0
CZ2 A:TRP117 4.7 20.9 1.0
CE2 A:TRP117 4.7 20.8 1.0
O A:HIS136 4.8 34.2 1.0

Manganese binding site 3 out of 12 in 2ef5

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Manganese binding site 3 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


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 the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1601

b:38.1
occ:1.00
OD1 B:ASP119 2.2 16.6 1.0
OD2 B:ASP220 2.3 26.8 1.0
OD2 B:ASP218 2.6 21.9 1.0
ND1 B:HIS121 2.7 28.7 1.0
MN B:MN1602 3.0 33.0 1.0
CG B:ASP220 3.0 20.7 1.0
CG B:ASP119 3.0 14.9 1.0
OD1 B:ASP220 3.1 20.4 1.0
OD2 B:ASP119 3.2 16.8 1.0
CG B:ASP218 3.2 18.9 1.0
CG B:HIS121 3.6 26.1 1.0
OD1 B:ASP218 3.7 22.1 1.0
CB B:HIS121 3.7 23.7 1.0
CE1 B:HIS121 3.7 30.1 1.0
O B:HOH3101 3.9 31.0 1.0
N B:HIS121 3.9 18.4 1.0
O B:HOH3082 4.1 49.6 1.0
CB B:ASP218 4.1 15.7 1.0
N B:ALA120 4.3 16.0 1.0
CA B:HIS121 4.4 21.1 1.0
CB B:ASP220 4.4 20.2 1.0
CB B:ASP119 4.4 13.3 1.0
OD2 B:ASP123 4.5 25.9 1.0
OD1 B:ASP123 4.6 27.7 1.0
CD2 B:HIS121 4.8 28.3 1.0
NE2 B:HIS121 4.8 31.2 1.0
C B:ALA120 4.9 17.8 1.0
O B:HIS121 4.9 22.4 1.0
CA B:ASP119 4.9 14.0 1.0
CB B:ALA120 5.0 15.2 1.0
CG B:ASP123 5.0 24.8 1.0
ND1 B:HIS97 5.0 16.8 1.0

Manganese binding site 4 out of 12 in 2ef5

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Manganese binding site 4 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


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 the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1602

b:33.0
occ:1.00
OD2 B:ASP119 2.1 16.8 1.0
ND1 B:HIS97 2.2 16.8 1.0
OD2 B:ASP123 2.2 25.9 1.0
OD2 B:ASP218 2.4 21.9 1.0
MN B:MN1601 3.0 38.1 1.0
CG B:ASP119 3.1 14.9 1.0
CG B:ASP123 3.1 24.8 1.0
CE1 B:HIS97 3.1 18.0 1.0
CG B:HIS97 3.2 18.2 1.0
OD1 B:ASP123 3.3 27.7 1.0
OD1 B:ASP119 3.4 16.6 1.0
CB B:HIS97 3.5 17.9 1.0
CG B:ASP218 3.5 18.9 1.0
CB B:ASP218 3.9 15.7 1.0
NE1 B:TRP117 4.2 17.2 1.0
NE2 B:HIS97 4.3 19.4 1.0
CD2 B:HIS97 4.3 17.6 1.0
CB B:ASP119 4.4 13.3 1.0
O B:HOH3082 4.5 49.6 1.0
CB B:ASP123 4.5 22.9 1.0
OD1 B:ASP218 4.6 22.1 1.0
CG B:GLU263 4.6 21.6 1.0
CZ2 B:TRP117 4.7 16.5 1.0
CE2 B:TRP117 4.8 16.4 1.0
O B:HIS136 4.8 32.5 1.0
CA B:HIS97 5.0 19.8 1.0

Manganese binding site 5 out of 12 in 2ef5

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Manganese binding site 5 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn1201

b:43.9
occ:1.00
OD1 D:ASP119 2.2 20.4 1.0
OD2 D:ASP220 2.2 27.4 1.0
OD2 D:ASP218 2.4 27.9 1.0
ND1 D:HIS121 2.8 30.3 1.0
MN D:MN1202 2.9 30.7 1.0
CG D:ASP220 3.0 22.5 1.0
OD1 D:ASP220 3.1 22.6 1.0
CG D:ASP119 3.1 20.9 1.0
CG D:ASP218 3.1 24.3 1.0
OD2 D:ASP119 3.2 22.3 1.0
O D:HOH3054 3.3 53.5 1.0
OD1 D:ASP218 3.6 24.0 1.0
CG D:HIS121 3.6 29.8 1.0
CB D:HIS121 3.7 27.0 1.0
CE1 D:HIS121 3.8 32.1 1.0
O D:HOH3073 3.9 34.1 1.0
N D:HIS121 4.0 23.6 1.0
CB D:ASP218 4.0 20.9 1.0
O D:HOH3055 4.1 52.8 1.0
N D:ALA120 4.4 20.2 1.0
CB D:ASP220 4.4 21.9 1.0
CA D:HIS121 4.4 25.8 1.0
CB D:ASP119 4.5 19.3 1.0
OD2 D:ASP123 4.5 31.7 1.0
OD1 D:ASP123 4.7 32.1 1.0
CD2 D:HIS121 4.8 30.5 1.0
NE2 D:HIS121 4.9 32.7 1.0
C D:ALA120 4.9 22.8 1.0
ND1 D:HIS97 4.9 18.6 1.0
CA D:ASP119 4.9 19.0 1.0
CG D:GLU263 4.9 24.2 1.0
CB D:ALA120 5.0 21.7 1.0

Manganese binding site 6 out of 12 in 2ef5

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Manganese binding site 6 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn1202

b:30.7
occ:1.00
OD2 D:ASP119 2.1 22.3 1.0
OD2 D:ASP123 2.2 31.7 1.0
ND1 D:HIS97 2.3 18.6 1.0
OD2 D:ASP218 2.5 27.9 1.0
MN D:MN1201 2.9 43.9 1.0
CG D:ASP119 3.0 20.9 1.0
CG D:ASP123 3.1 30.3 1.0
CE1 D:HIS97 3.2 20.1 1.0
CG D:HIS97 3.3 20.5 1.0
OD1 D:ASP123 3.3 32.1 1.0
OD1 D:ASP119 3.4 20.4 1.0
CB D:HIS97 3.5 20.1 1.0
CG D:ASP218 3.5 24.3 1.0
O D:HOH3054 3.7 53.5 1.0
CB D:ASP218 4.0 20.9 1.0
NE1 D:TRP117 4.2 23.4 1.0
NE2 D:HIS97 4.3 22.6 1.0
CB D:ASP119 4.4 19.3 1.0
CD2 D:HIS97 4.4 19.6 1.0
O D:HOH3055 4.4 52.8 1.0
CB D:ASP123 4.5 30.4 1.0
OD1 D:ASP218 4.6 24.0 1.0
CG D:GLU263 4.7 24.2 1.0
CZ2 D:TRP117 4.7 24.9 1.0
O D:HIS136 4.8 35.2 1.0
CE2 D:TRP117 4.8 23.5 1.0
CB D:HIS121 4.9 27.0 1.0
OD2 D:ASP220 5.0 27.4 1.0

Manganese binding site 7 out of 12 in 2ef5

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Manganese binding site 7 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn1301

b:30.8
occ:1.00
OD2 E:ASP220 2.1 24.2 1.0
OD1 E:ASP119 2.2 17.4 1.0
OD2 E:ASP218 2.5 19.4 1.0
ND1 E:HIS121 2.7 28.9 1.0
CG E:ASP220 2.9 17.8 1.0
OD1 E:ASP220 3.0 17.5 1.0
MN E:MN1302 3.1 16.4 1.0
CG E:ASP119 3.1 13.9 1.0
CG E:ASP218 3.1 18.7 1.0
O E:HOH3096 3.3 54.7 1.0
OD2 E:ASP119 3.3 15.4 1.0
OD1 E:ASP218 3.6 20.1 1.0
CE1 E:HIS121 3.7 30.8 1.0
CG E:HIS121 3.7 26.1 1.0
CB E:HIS121 3.8 22.1 1.0
O E:HOH3113 3.9 27.6 1.0
N E:HIS121 4.0 16.9 1.0
CB E:ASP218 4.0 15.2 1.0
O E:HOH3097 4.1 45.0 1.0
N E:ALA120 4.3 14.5 1.0
CB E:ASP220 4.3 16.6 1.0
CB E:ASP119 4.5 15.2 1.0
CA E:HIS121 4.5 19.5 1.0
OD2 E:ASP123 4.7 20.5 1.0
NE2 E:HIS121 4.8 30.7 1.0
CD2 E:HIS121 4.8 27.6 1.0
OD1 E:ASP123 4.8 23.8 1.0
C E:ALA120 4.9 15.6 1.0
CB E:ALA120 4.9 13.1 1.0
CA E:ASP119 4.9 13.3 1.0
CA E:ALA120 4.9 14.6 1.0

Manganese binding site 8 out of 12 in 2ef5

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Manganese binding site 8 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn1302

b:16.4
occ:1.00
OD2 E:ASP119 2.1 15.4 1.0
OD2 E:ASP123 2.2 20.5 1.0
ND1 E:HIS97 2.3 14.3 1.0
OD2 E:ASP218 2.5 19.4 1.0
MN E:MN1301 3.1 30.8 1.0
CG E:ASP119 3.1 13.9 1.0
CG E:ASP123 3.1 19.2 1.0
CG E:HIS97 3.2 15.6 1.0
CE1 E:HIS97 3.2 13.5 1.0
OD1 E:ASP123 3.3 23.8 1.0
OD1 E:ASP119 3.4 17.4 1.0
CB E:HIS97 3.5 16.0 1.0
CG E:ASP218 3.5 18.7 1.0
O E:HOH3096 3.7 54.7 1.0
CB E:ASP218 4.0 15.2 1.0
NE1 E:TRP117 4.2 17.2 1.0
NE2 E:HIS97 4.3 17.9 1.0
CD2 E:HIS97 4.4 15.2 1.0
O E:HOH3097 4.4 45.0 1.0
CB E:ASP119 4.4 15.2 1.0
CB E:ASP123 4.5 18.2 1.0
OD1 E:ASP218 4.6 20.1 1.0
CG E:GLU263 4.7 21.5 1.0
CZ2 E:TRP117 4.7 17.4 1.0
O E:HIS136 4.8 27.2 1.0
CE2 E:TRP117 4.8 17.0 1.0
OD2 E:ASP220 5.0 24.2 1.0
CA E:HIS97 5.0 16.7 1.0

Manganese binding site 9 out of 12 in 2ef5

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Manganese binding site 9 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Crystal Structure of the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn1401

b:47.3
occ:1.00
OD2 F:ASP220 2.3 28.9 1.0
OD1 F:ASP119 2.3 25.8 1.0
OD2 F:ASP218 2.4 27.3 1.0
ND1 F:HIS121 2.8 30.4 1.0
MN F:MN1402 2.9 31.4 1.0
CG F:ASP119 3.1 25.9 1.0
CG F:ASP220 3.1 24.7 1.0
CG F:ASP218 3.2 26.6 1.0
O F:HOH3072 3.2 50.1 1.0
OD2 F:ASP119 3.2 27.4 1.0
OD1 F:ASP220 3.2 24.4 1.0
CG F:HIS121 3.6 30.1 1.0
OD1 F:ASP218 3.6 27.8 1.0
CB F:HIS121 3.8 26.3 1.0
CE1 F:HIS121 3.8 32.2 1.0
O F:HOH3089 3.8 39.5 1.0
O F:HOH3073 4.0 49.7 1.0
N F:HIS121 4.1 22.4 1.0
CB F:ASP218 4.1 22.2 1.0
N F:ALA120 4.4 20.4 1.0
CB F:ASP220 4.5 23.1 1.0
CB F:ASP119 4.5 22.6 1.0
CA F:HIS121 4.5 25.5 1.0
OD2 F:ASP123 4.6 30.9 1.0
OD1 F:ASP123 4.6 33.8 1.0
CD2 F:HIS121 4.8 31.8 1.0
NE2 F:HIS121 4.9 33.5 1.0
CG F:GLU263 4.9 29.7 1.0
ND1 F:HIS97 4.9 22.9 1.0
C F:ALA120 5.0 22.0 1.0
CG F:ASP123 5.0 32.9 1.0

Manganese binding site 10 out of 12 in 2ef5

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Manganese binding site 10 out of 12 in the Crystal Structure of the Arginase From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Crystal Structure of the Arginase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn1402

b:31.4
occ:1.00
OD2 F:ASP119 2.0 27.4 1.0
ND1 F:HIS97 2.3 22.9 1.0
OD2 F:ASP123 2.3 30.9 1.0
OD2 F:ASP218 2.4 27.3 1.0
MN F:MN1401 2.9 47.3 1.0
CG F:ASP119 3.1 25.9 1.0
CG F:ASP123 3.2 32.9 1.0
CE1 F:HIS97 3.2 25.6 1.0
CG F:HIS97 3.2 26.2 1.0
OD1 F:ASP123 3.3 33.8 1.0
OD1 F:ASP119 3.4 25.8 1.0
CG F:ASP218 3.5 26.6 1.0
CB F:HIS97 3.5 26.5 1.0
O F:HOH3072 3.7 50.1 1.0
CB F:ASP218 4.0 22.2 1.0
NE1 F:TRP117 4.2 22.6 1.0
NE2 F:HIS97 4.3 26.6 1.0
CB F:ASP119 4.4 22.6 1.0
CD2 F:HIS97 4.4 25.3 1.0
O F:HOH3073 4.4 49.7 1.0
CB F:ASP123 4.6 30.7 1.0
OD1 F:ASP218 4.6 27.8 1.0
CG F:GLU263 4.6 29.7 1.0
CZ2 F:TRP117 4.8 24.5 1.0
O F:HIS136 4.8 39.1 1.0
CE2 F:TRP117 4.8 23.2 1.0
OD2 F:ASP220 5.0 28.9 1.0
CB F:HIS121 5.0 26.3 1.0

Reference:

T.S.Kumarevel, P.Karthe, S.Kuramitsu, S.Yokoyama. Crystal Structure of the Arginase From Thermus Thermophilus To Be Published.
Page generated: Sat Oct 5 13:58:38 2024

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