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Manganese in PDB 2v8u: Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus

Enzymatic activity of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus

All present enzymatic activity of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus:
1.11.1.6;

Protein crystallography data

The structure of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus, PDB code: 2v8u was solved by V.V.Barynin, S.V.Antonyuk, A.A.Vaguine, W.R.Melik-Adamyan, A.N.Popov, V.S.Lamsin, P.M.Harrison, P.J.Artymiuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.35 / 1.05
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 132.300, 132.300, 132.300, 90.00, 90.00, 90.00
R / Rfree (%) 10.6 / 12.1

Manganese Binding Sites:

The binding sites of Manganese atom in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus (pdb code 2v8u). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus, PDB code: 2v8u:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 2v8u

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Manganese binding site 1 out of 8 in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1303

b:7.9
occ:0.50
MN A:MN1303 0.0 7.9 0.5
MN A:MN1303 0.0 7.9 0.5
O A:O1307 1.9 8.6 0.2
O A:O1305 2.0 10.4 0.8
O A:O1306 2.1 9.5 0.8
OE2 A:GLU36 2.1 10.7 0.5
OE1 A:GLU36 2.1 11.2 0.5
OE1 A:GLU70 2.1 10.9 1.0
O A:O1309 2.3 11.0 0.5
ND1 A:HIS73 2.3 8.2 1.0
OE2 A:GLU36 2.3 11.8 0.5
O A:O1308 2.6 8.2 0.1
CD A:GLU36 2.6 10.1 0.5
CD A:GLU36 3.1 9.2 0.5
CD A:GLU70 3.1 7.1 1.0
MN A:MN1304 3.1 8.0 0.8
MN A:MN1304 3.2 8.4 0.1
O A:HOH2531 3.2 15.7 0.5
CE1 A:HIS73 3.2 9.0 1.0
CG A:HIS73 3.3 7.2 1.0
OE2 A:GLU70 3.4 8.0 1.0
OE1 A:GLU36 3.4 15.1 0.5
CB A:HIS73 3.6 6.6 1.0
O A:HOH2529 3.9 22.6 0.5
OG1 A:THR39 3.9 8.2 1.0
CG A:GLU36 4.1 8.1 0.5
NE2 A:HIS73 4.3 9.1 1.0
CD2 A:HIS73 4.4 8.5 1.0
CG A:GLU36 4.4 8.8 0.5
CG A:GLU70 4.4 6.4 1.0
CE1 A:HIS188 4.4 7.7 1.0
ND1 A:HIS188 4.5 7.2 1.0
O A:HOH2530 4.6 24.6 1.0
CB A:GLU36 4.8 7.0 0.5
CB A:THR39 4.8 7.2 1.0
NZ A:LYS162 4.9 14.5 0.5
CB A:GLU70 4.9 6.2 1.0
CB A:GLU36 4.9 7.8 0.5
CA A:GLU70 4.9 6.2 1.0
CD2 A:LEU181 5.0 9.0 1.0

Manganese binding site 2 out of 8 in 2v8u

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Manganese binding site 2 out of 8 in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1303

b:7.9
occ:0.50
MN A:MN1303 0.0 7.9 0.5
MN A:MN1303 0.0 7.9 0.5
O A:O1307 1.9 8.6 0.2
O A:O1305 2.0 10.4 0.8
O A:O1306 2.1 9.5 0.8
OE2 A:GLU36 2.1 10.7 0.5
OE1 A:GLU36 2.1 11.2 0.5
OE1 A:GLU70 2.1 10.9 1.0
O A:O1309 2.3 11.0 0.5
ND1 A:HIS73 2.3 8.2 1.0
OE2 A:GLU36 2.3 11.8 0.5
O A:O1308 2.6 8.2 0.1
CD A:GLU36 2.6 10.1 0.5
CD A:GLU36 3.1 9.2 0.5
CD A:GLU70 3.1 7.1 1.0
MN A:MN1304 3.1 8.0 0.8
MN A:MN1304 3.2 8.4 0.1
O A:HOH2531 3.2 15.7 0.5
CE1 A:HIS73 3.2 9.0 1.0
CG A:HIS73 3.3 7.2 1.0
OE2 A:GLU70 3.4 8.0 1.0
OE1 A:GLU36 3.4 15.1 0.5
CB A:HIS73 3.6 6.6 1.0
O A:HOH2529 3.9 22.6 0.5
OG1 A:THR39 3.9 8.2 1.0
CG A:GLU36 4.1 8.1 0.5
NE2 A:HIS73 4.3 9.1 1.0
CD2 A:HIS73 4.4 8.5 1.0
CG A:GLU36 4.4 8.8 0.5
CG A:GLU70 4.4 6.4 1.0
CE1 A:HIS188 4.4 7.7 1.0
ND1 A:HIS188 4.5 7.2 1.0
O A:HOH2530 4.6 24.6 1.0
CB A:GLU36 4.8 7.0 0.5
CB A:THR39 4.8 7.2 1.0
NZ A:LYS162 4.9 14.5 0.5
CB A:GLU70 4.9 6.2 1.0
CB A:GLU36 4.9 7.8 0.5
CA A:GLU70 4.9 6.2 1.0
CD2 A:LEU181 5.0 9.0 1.0

Manganese binding site 3 out of 8 in 2v8u

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Manganese binding site 3 out of 8 in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1304

b:8.0
occ:0.85
MN A:MN1304 0.0 8.0 0.8
MN A:MN1304 0.2 8.4 0.1
O A:O1307 1.7 8.6 0.2
O A:O1305 2.1 10.4 0.8
OE2 A:GLU70 2.1 8.0 1.0
OE2 A:GLU155 2.2 8.3 1.0
O A:O1306 2.2 9.5 0.8
ND1 A:HIS188 2.3 7.2 1.0
OE1 A:GLU155 2.6 9.3 1.0
CD A:GLU155 2.8 7.5 1.0
MN A:MN1303 3.1 7.9 0.5
MN A:MN1303 3.1 7.9 0.5
CE1 A:HIS188 3.1 7.7 1.0
CD A:GLU70 3.1 7.1 1.0
O A:O1308 3.2 8.2 0.1
OE1 A:GLU70 3.4 10.9 1.0
CG A:HIS188 3.4 6.6 1.0
O A:HOH2529 3.8 22.6 0.5
CB A:HIS188 3.8 6.7 1.0
O A:HOH2531 4.1 15.7 0.5
CG A:GLU155 4.2 7.2 1.0
CB A:THR39 4.2 7.2 1.0
O A:O1309 4.3 11.0 0.5
CG2 A:THR39 4.3 9.2 1.0
NE2 A:HIS188 4.3 7.9 1.0
OG1 A:THR39 4.3 8.2 1.0
CA A:GLY185 4.4 9.1 1.0
CE2 A:TYR43 4.4 7.3 1.0
CG A:GLU70 4.4 6.4 1.0
CD2 A:HIS188 4.4 7.1 1.0
OH A:TYR43 4.6 8.2 1.0
OE1 A:GLU36 4.7 11.2 0.5
ND1 A:HIS73 4.8 8.2 1.0
O A:HOH2304 4.9 17.7 0.5
CG2 A:ILE66 4.9 7.4 1.0
OE2 A:GLU36 4.9 10.7 0.5
N A:GLY185 5.0 8.3 1.0
CZ A:TYR43 5.0 6.7 1.0
OE2 A:GLU36 5.0 11.8 0.5

Manganese binding site 4 out of 8 in 2v8u

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Manganese binding site 4 out of 8 in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1304

b:8.4
occ:0.15
MN A:MN1304 0.0 8.4 0.1
MN A:MN1304 0.2 8.0 0.8
O A:O1307 1.9 8.6 0.2
OE2 A:GLU70 2.0 8.0 1.0
OE2 A:GLU155 2.1 8.3 1.0
O A:O1306 2.2 9.5 0.8
ND1 A:HIS188 2.2 7.2 1.0
O A:O1305 2.3 10.4 0.8
OE1 A:GLU155 2.7 9.3 1.0
CD A:GLU155 2.7 7.5 1.0
CD A:GLU70 3.0 7.1 1.0
CE1 A:HIS188 3.1 7.7 1.0
MN A:MN1303 3.2 7.9 0.5
MN A:MN1303 3.2 7.9 0.5
O A:O1308 3.3 8.2 0.1
OE1 A:GLU70 3.3 10.9 1.0
CG A:HIS188 3.4 6.6 1.0
CB A:HIS188 3.8 6.7 1.0
O A:HOH2529 3.9 22.6 0.5
CB A:THR39 4.2 7.2 1.0
CG A:GLU155 4.2 7.2 1.0
CE2 A:TYR43 4.2 7.3 1.0
CG2 A:THR39 4.2 9.2 1.0
O A:HOH2531 4.2 15.7 0.5
OG1 A:THR39 4.3 8.2 1.0
NE2 A:HIS188 4.3 7.9 1.0
CG A:GLU70 4.3 6.4 1.0
O A:O1309 4.4 11.0 0.5
CD2 A:HIS188 4.4 7.1 1.0
OH A:TYR43 4.5 8.2 1.0
CA A:GLY185 4.5 9.1 1.0
OE1 A:GLU36 4.8 11.2 0.5
CG2 A:ILE66 4.8 7.4 1.0
CZ A:TYR43 4.8 6.7 1.0
ND1 A:HIS73 4.8 8.2 1.0
OE2 A:GLU36 5.0 10.7 0.5
O A:HOH2304 5.0 17.7 0.5

Manganese binding site 5 out of 8 in 2v8u

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Manganese binding site 5 out of 8 in the Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1306

b:8.1
occ:0.50
MN B:MN1306 0.0 8.1 0.5
MN B:MN1306 0.0 8.1 0.5
O B:O1310 2.0 10.3 0.2
OE1 B:GLU36 2.0 12.0 0.4
O B:O1309 2.1 9.6 0.8
O B:O1308 2.1 11.1 0.8
OE1 B:GLU36 2.1 9.3 0.6
OE1 B:GLU70 2.1 11.5 1.0
ND1 B:HIS73 2.2 8.1 1.0
O B:O1312 2.3 9.2 0.4
O B:O1311 2.6 9.6 0.2
CD B:GLU36 2.8 9.3 0.6
OE2 B:GLU36 2.8 17.7 0.6
CD B:GLU36 3.0 11.7 0.4
CD B:GLU70 3.1 7.2 1.0
CE1 B:HIS73 3.1 9.2 1.0
MN B:MN1307 3.1 8.5 0.2
MN B:MN1307 3.1 8.3 0.8
O B:HOH2511 3.2 12.4 0.3
CG B:HIS73 3.3 7.1 1.0
OE2 B:GLU36 3.3 12.8 0.4
OE2 B:GLU70 3.4 8.3 1.0
CB B:HIS73 3.6 6.9 1.0
OG1 B:THR39 3.9 8.1 1.0
O B:HOH2295 3.9 30.6 0.7
CG B:GLU36 4.2 8.5 0.4
CG B:GLU36 4.3 8.8 0.6
NE2 B:HIS73 4.3 9.5 1.0
CD2 B:HIS73 4.4 8.0 1.0
CE1 B:HIS188 4.4 7.7 1.0
CG B:GLU70 4.5 6.6 1.0
ND1 B:HIS188 4.5 7.4 1.0
O B:HOH2105 4.6 24.6 1.0
CB B:GLU36 4.7 7.8 0.4
NZ B:LYS162 4.8 16.6 0.6
CB B:THR39 4.8 7.0 1.0
CB B:GLU70 4.9 6.6 1.0
CA B:GLU70 4.9 6.3 1.0
CB B:GLU36 4.9 7.5 0.6
CD2 B:LEU181 5.0 9.2 1.0

Manganese binding site 6 out of 8 in 2v8u

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Manganese binding site 6 out of 8 in the Atomic Resolution Structure of Mn Catalase 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 Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1306

b:8.1
occ:0.50
MN B:MN1306 0.0 8.1 0.5
MN B:MN1306 0.0 8.1 0.5
O B:O1310 2.0 10.3 0.2
OE1 B:GLU36 2.0 12.0 0.4
O B:O1309 2.1 9.6 0.8
O B:O1308 2.1 11.1 0.8
OE1 B:GLU36 2.1 9.3 0.6
OE1 B:GLU70 2.1 11.5 1.0
ND1 B:HIS73 2.2 8.1 1.0
O B:O1312 2.3 9.2 0.4
O B:O1311 2.6 9.6 0.2
CD B:GLU36 2.8 9.3 0.6
OE2 B:GLU36 2.8 17.7 0.6
CD B:GLU36 3.0 11.7 0.4
CD B:GLU70 3.1 7.2 1.0
CE1 B:HIS73 3.1 9.2 1.0
MN B:MN1307 3.1 8.5 0.2
MN B:MN1307 3.1 8.3 0.8
O B:HOH2511 3.2 12.4 0.3
CG B:HIS73 3.3 7.1 1.0
OE2 B:GLU36 3.3 12.8 0.4
OE2 B:GLU70 3.4 8.3 1.0
CB B:HIS73 3.6 6.9 1.0
OG1 B:THR39 3.9 8.1 1.0
O B:HOH2295 3.9 30.6 0.7
CG B:GLU36 4.2 8.5 0.4
CG B:GLU36 4.3 8.8 0.6
NE2 B:HIS73 4.3 9.5 1.0
CD2 B:HIS73 4.4 8.0 1.0
CE1 B:HIS188 4.4 7.7 1.0
CG B:GLU70 4.5 6.6 1.0
ND1 B:HIS188 4.5 7.4 1.0
O B:HOH2105 4.6 24.6 1.0
CB B:GLU36 4.7 7.8 0.4
NZ B:LYS162 4.8 16.6 0.6
CB B:THR39 4.8 7.0 1.0
CB B:GLU70 4.9 6.6 1.0
CA B:GLU70 4.9 6.3 1.0
CB B:GLU36 4.9 7.5 0.6
CD2 B:LEU181 5.0 9.2 1.0

Manganese binding site 7 out of 8 in 2v8u

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Manganese binding site 7 out of 8 in the Atomic Resolution Structure of Mn Catalase 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 Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1307

b:8.3
occ:0.80
MN B:MN1307 0.0 8.3 0.8
MN B:MN1307 0.0 8.5 0.2
O B:O1310 1.7 10.3 0.2
OE2 B:GLU70 2.1 8.3 1.0
O B:O1308 2.2 11.1 0.8
OE2 B:GLU155 2.2 8.2 1.0
O B:O1309 2.2 9.6 0.8
ND1 B:HIS188 2.2 7.4 1.0
OE1 B:GLU155 2.6 9.7 1.0
CD B:GLU155 2.8 7.4 1.0
CE1 B:HIS188 3.1 7.7 1.0
CD B:GLU70 3.1 7.2 1.0
MN B:MN1306 3.1 8.1 0.5
MN B:MN1306 3.1 8.1 0.5
O B:O1311 3.3 9.6 0.2
OE1 B:GLU70 3.4 11.5 1.0
CG B:HIS188 3.4 6.8 1.0
CB B:HIS188 3.8 6.9 1.0
O B:HOH2295 3.9 30.6 0.7
O B:HOH2511 4.1 12.4 0.3
CG B:GLU155 4.2 7.2 1.0
CB B:THR39 4.3 7.0 1.0
CG2 B:THR39 4.3 8.7 1.0
NE2 B:HIS188 4.3 7.8 1.0
OG1 B:THR39 4.3 8.1 1.0
O B:O1312 4.3 9.2 0.4
CE2 B:TYR43 4.4 7.0 1.0
CA B:GLY185 4.4 9.0 1.0
CG B:GLU70 4.4 6.6 1.0
CD2 B:HIS188 4.4 7.9 1.0
OH B:TYR43 4.6 8.1 1.0
ND1 B:HIS73 4.7 8.1 1.0
OE1 B:GLU36 4.9 9.3 0.6
CG2 B:ILE66 4.9 7.4 1.0
CE1 B:HIS73 4.9 9.2 1.0
OE1 B:GLU36 4.9 12.0 0.4
CZ B:TYR43 4.9 7.0 1.0
O B:HOH2286 5.0 22.3 1.0

Manganese binding site 8 out of 8 in 2v8u

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Manganese binding site 8 out of 8 in the Atomic Resolution Structure of Mn Catalase 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 Atomic Resolution Structure of Mn Catalase From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1307

b:8.5
occ:0.20
MN B:MN1307 0.0 8.5 0.2
MN B:MN1307 0.0 8.3 0.8
O B:O1310 1.7 10.3 0.2
O B:O1308 2.1 11.1 0.8
OE2 B:GLU70 2.2 8.3 1.0
OE2 B:GLU155 2.2 8.2 1.0
O B:O1309 2.2 9.6 0.8
ND1 B:HIS188 2.2 7.4 1.0
OE1 B:GLU155 2.6 9.7 1.0
CD B:GLU155 2.8 7.4 1.0
CE1 B:HIS188 3.1 7.7 1.0
CD B:GLU70 3.1 7.2 1.0
MN B:MN1306 3.1 8.1 0.5
MN B:MN1306 3.1 8.1 0.5
O B:O1311 3.3 9.6 0.2
OE1 B:GLU70 3.4 11.5 1.0
CG B:HIS188 3.4 6.8 1.0
CB B:HIS188 3.8 6.9 1.0
O B:HOH2295 3.8 30.6 0.7
O B:HOH2511 4.1 12.4 0.3
CG B:GLU155 4.2 7.2 1.0
CB B:THR39 4.3 7.0 1.0
CG2 B:THR39 4.3 8.7 1.0
O B:O1312 4.3 9.2 0.4
NE2 B:HIS188 4.3 7.8 1.0
OG1 B:THR39 4.3 8.1 1.0
CA B:GLY185 4.4 9.0 1.0
CE2 B:TYR43 4.4 7.0 1.0
CD2 B:HIS188 4.5 7.9 1.0
CG B:GLU70 4.5 6.6 1.0
OH B:TYR43 4.6 8.1 1.0
ND1 B:HIS73 4.7 8.1 1.0
OE1 B:GLU36 4.8 9.3 0.6
CE1 B:HIS73 4.8 9.2 1.0
CG2 B:ILE66 4.9 7.4 1.0
OE1 B:GLU36 4.9 12.0 0.4
O B:HOH2286 4.9 22.3 1.0
CZ B:TYR43 5.0 7.0 1.0
N B:GLY185 5.0 8.6 1.0

Reference:

S.V.Antonyuk, W.R.Melik-Adamyan, A.N.Popov, V.S.Lamsin, P.D.Hempstead, P.M.Harrison, P.J.Artymyuk, V.V.Barynin. Three-Dimentional Structure of the Enzyme Dimanganese Catalase From Thermus Thermophilus at 1 Angstrom Resolution Crystallogr.Rep.(Transl. V. 45 105 2000KRISTALLOGRAFIYA).
ISSN: ISSN 1063-7745
Page generated: Sat Oct 5 15:15:18 2024

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