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Manganese in PDB 4wuo: Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh

Enzymatic activity of Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh

All present enzymatic activity of Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh:
1.1.1.85;

Protein crystallography data

The structure of Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh, PDB code: 4wuo was solved by A.Pallo, E.Graczer, J.Olah, T.Szimler, P.V.Konarev, D.I.Svergun, A.Merli, P.Zavodszky, M.Vas, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.05
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 50.180, 143.250, 174.890, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 22.9

Other elements in 4wuo:

The structure of Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh also contains other interesting chemical elements:

Potassium (K) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh (pdb code 4wuo). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh, PDB code: 4wuo:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4wuo

Go back to Manganese Binding Sites List in 4wuo
Manganese binding site 1 out of 2 in the Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn403

b:28.2
occ:1.00
O2 A:IPM401 1.9 29.6 1.0
OD1 A:ASP241 2.0 25.9 1.0
OD2 B:ASP217 2.1 24.2 1.0
O A:HOH527 2.2 23.7 1.0
O A:HOH528 2.3 23.2 1.0
O1 A:IPM401 2.4 24.2 1.0
C1 A:IPM401 2.9 31.5 1.0
CG A:ASP241 3.1 23.1 1.0
C2 A:IPM401 3.2 25.4 1.0
CG B:ASP217 3.2 25.1 1.0
OD2 A:ASP241 3.7 26.7 1.0
OD1 A:ASP245 3.8 25.8 1.0
CB B:ASP217 3.8 20.6 1.0
NZ B:LYS185 4.0 32.4 1.0
O3 A:IPM401 4.1 34.7 1.0
O A:ASP241 4.1 23.0 1.0
NH1 A:ARG104 4.1 27.3 1.0
OD1 B:ASP217 4.2 27.1 1.0
O4 A:IPM401 4.3 31.0 1.0
CB A:ASP241 4.3 23.5 1.0
O A:HOH529 4.4 21.4 1.0
O A:HOH543 4.4 28.1 1.0
CG A:ASP245 4.4 26.7 1.0
C3 A:IPM401 4.4 25.0 1.0
C4 A:IPM401 4.5 25.7 1.0
C5N A:NAD402 4.5 24.2 1.0
CA A:ASP241 4.6 23.2 1.0
O A:VAL272 4.6 25.5 1.0
C A:ASP241 4.6 20.8 1.0
OD2 A:ASP245 4.7 31.0 1.0
O B:HOH505 4.7 23.9 1.0
C4N A:NAD402 4.9 25.3 1.0

Manganese binding site 2 out of 2 in 4wuo

Go back to Manganese Binding Sites List in 4wuo
Manganese binding site 2 out of 2 in the Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the E270A Mutant Isopropylmalate Dehydrogenase From Thermus Thermophilus in Complex with Ipm, Mn and Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn405

b:28.6
occ:1.00
O2 A:IPM415 1.8 30.0 1.0
OD2 A:ASP217 2.0 24.9 1.0
OD1 B:ASP241 2.0 28.8 1.0
O B:HOH506 2.3 23.9 1.0
O B:HOH507 2.3 23.1 1.0
O1 A:IPM415 2.4 28.6 1.0
C1 A:IPM415 2.8 36.8 1.0
CG A:ASP217 3.0 23.7 1.0
C2 A:IPM415 3.2 29.0 1.0
CG B:ASP241 3.2 31.6 1.0
CB A:ASP217 3.6 21.7 1.0
OD2 B:ASP241 3.7 31.4 1.0
OD1 B:ASP245 3.9 26.2 1.0
O3 A:IPM415 4.0 42.8 1.0
NZ A:LYS185 4.0 28.2 1.0
OD1 A:ASP217 4.0 24.0 1.0
O B:ASP241 4.0 21.0 1.0
NH1 B:ARG104 4.2 28.5 1.0
O5 A:IPM415 4.2 31.8 1.0
O A:HOH561 4.3 38.7 1.0
C4 A:IPM415 4.3 31.6 1.0
C3 A:IPM415 4.4 28.0 1.0
O B:HOH515 4.4 22.3 1.0
CB B:ASP241 4.4 28.4 1.0
CG B:ASP245 4.4 30.0 1.0
CA B:ASP241 4.5 26.0 1.0
C B:ASP241 4.5 22.7 1.0
C5N B:NAD401 4.6 31.8 1.0
O B:VAL272 4.7 25.4 1.0
OD2 B:ASP245 4.7 31.6 1.0
O B:HOH508 4.8 23.1 1.0
O4 A:IPM415 4.9 34.2 1.0
C4N B:NAD401 4.9 32.1 1.0

Reference:

E.Graczer, A.Pallo, J.Olah, T.Szimler, P.V.Konarev, D.I.Svergun, A.Merli, P.Zavodszky, M.S.Weiss, M.Vas. Essential Role of E270 in K+-Activation and Domain Closure of Thermus Thermophilus Isopropylmalate Dehydrogenase To Be Published.
Page generated: Sat Oct 5 22:53:42 2024

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