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Manganese in PDB 4kaj: X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151

Enzymatic activity of X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151

All present enzymatic activity of X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151:
3.8.1.5;

Protein crystallography data

The structure of X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151, PDB code: 4kaj was solved by A.Kuzin, S.Lew, T.K.Neklesa, D.Noblin, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, H.Wang, J.K.Everett, T.B.Acton, G.Kornhaber, G.T.Montelione, C.M.Crews, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium(Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.42 / 1.95
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 63.026, 63.026, 164.073, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 20.1

Other elements in 4kaj:

The structure of X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151 (pdb code 4kaj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151, PDB code: 4kaj:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4kaj

Go back to Manganese Binding Sites List in 4kaj
Manganese binding site 1 out of 2 in the X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:33.1
occ:1.00
 O A:GLY19 2.0 19.1 1.0
O A:HOH471 2.3 28.8 1.0
O A:HOH424 2.4 21.0 0.5
O A:HOH425 2.5 20.1 0.5
C A:GLY19 3.0 22.9 1.0
CA A:GLY19 3.5 26.2 1.0
N A:GLU20 4.1 18.1 1.0
OE1 A:GLU16 4.1 44.0 1.0
O A:HOH461 4.4 28.6 1.0
CA A:GLU20 4.5 19.9 1.0
N A:GLY19 4.9 23.9 1.0

Manganese binding site 2 out of 2 in 4kaj

Go back to Manganese Binding Sites List in 4kaj
Manganese binding site 2 out of 2 in the X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Structure of the Complex of Haloalkane Dehalogenase HALOTAG7 with Halts, Northeast Structural Genomics Consortium (Nesg) Target OR151 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn303

b:59.2
occ:1.00
 O A:HOH490 2.4 32.8 1.0
O A:HOH628 2.4 48.2 1.0
O A:HOH546 2.4 36.8 1.0
OD1 A:ASP76 2.5 37.6 1.0
O A:HOH585 2.6 40.4 1.0
CG A:ASP76 3.6 36.4 1.0
OD2 A:ASP76 3.9 42.8 1.0
O A:HOH540 4.2 35.8 1.0
O A:LEU77 4.4 19.6 1.0
OE1 A:GLU200 4.4 23.5 1.0
O A:HOH462 4.8 27.1 1.0
CD A:GLU200 4.8 25.7 1.0
CB A:ASP76 4.9 28.7 1.0
C A:ASP76 4.9 23.1 1.0
O A:HOH580 4.9 41.5 1.0
O A:HOH539 4.9 38.7 1.0
O A:ASP76 5.0 24.1 1.0

Reference:

A.Kuzin, S.Lew, T.K.Neklesa, D.Noblin, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, H.Wang, J.K.Everett, T.B.Acton, G.Kornhaber, G.T.Montelione, C.M.Crews, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target OR151 To Be Published.
Page generated: Sat Aug 16 14:26:19 2025

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