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Iron in PDB 3pxs: Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:

Enzymatic activity of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:

All present enzymatic activity of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase::
1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:, PDB code: 3pxs was solved by E.T.Yukl, B.R.Goblirsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.49 / 2.22
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.530, 83.520, 107.780, 109.94, 91.54, 105.78
R / Rfree (%) 17.7 / 22.9

Other elements in 3pxs:

The structure of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: (pdb code 3pxs). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:, PDB code: 3pxs:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3pxs

Go back to Iron Binding Sites List in 3pxs
Iron binding site 1 out of 4 in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:25.9
occ:1.00
FE A:HEC500 0.0 25.9 1.0
ND A:HEC500 2.1 25.5 1.0
NA A:HEC500 2.1 26.1 1.0
NC A:HEC500 2.1 25.6 1.0
NB A:HEC500 2.1 25.7 1.0
NE2 A:HIS35 2.2 23.2 1.0
C4D A:HEC500 3.1 25.7 1.0
C1D A:HEC500 3.1 25.2 1.0
C1A A:HEC500 3.1 26.1 1.0
C1C A:HEC500 3.1 24.7 1.0
C4B A:HEC500 3.1 24.9 1.0
C4A A:HEC500 3.1 25.8 1.0
C1B A:HEC500 3.1 25.1 1.0
C4C A:HEC500 3.1 25.2 1.0
CE1 A:HIS35 3.2 22.5 1.0
CD2 A:HIS35 3.2 22.6 1.0
CHA A:HEC500 3.4 25.5 1.0
CHD A:HEC500 3.4 25.8 1.0
CHC A:HEC500 3.4 24.8 1.0
CHB A:HEC500 3.4 25.0 1.0
O A:HOH406 3.5 24.7 1.0
CG A:PRO107 4.2 26.8 1.0
NE2 A:GLN103 4.2 27.0 1.0
ND1 A:HIS35 4.3 22.9 1.0
C3D A:HEC500 4.4 25.2 1.0
CG A:HIS35 4.4 22.3 1.0
C2D A:HEC500 4.4 24.7 1.0
C2A A:HEC500 4.4 25.8 1.0
C3A A:HEC500 4.4 25.7 1.0
C3B A:HEC500 4.4 24.4 1.0
C2B A:HEC500 4.4 25.0 1.0
C2C A:HEC500 4.4 24.8 1.0
C3C A:HEC500 4.4 24.7 1.0
CB A:PRO107 4.8 26.7 1.0

Iron binding site 2 out of 4 in 3pxs

Go back to Iron Binding Sites List in 3pxs
Iron binding site 2 out of 4 in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe600

b:20.7
occ:1.00
FE A:HEC600 0.0 20.7 1.0
NB A:HEC600 2.1 17.4 1.0
ND A:HEC600 2.1 19.2 1.0
NC A:HEC600 2.1 17.6 1.0
NE2 A:HIS205 2.1 23.7 1.0
NA A:HEC600 2.1 19.0 1.0
OH A:TYR294 2.1 22.1 1.0
CZ A:TYR294 3.0 22.1 1.0
CD2 A:HIS205 3.0 24.0 1.0
C1B A:HEC600 3.1 18.3 1.0
C1D A:HEC600 3.1 20.0 1.0
C4A A:HEC600 3.1 18.2 1.0
C4C A:HEC600 3.1 18.0 1.0
C4B A:HEC600 3.1 18.1 1.0
C4D A:HEC600 3.1 19.6 1.0
C1C A:HEC600 3.1 17.7 1.0
CE1 A:HIS205 3.1 24.5 1.0
C1A A:HEC600 3.1 19.1 1.0
CHB A:HEC600 3.4 18.2 1.0
CHD A:HEC600 3.4 18.0 1.0
CHA A:HEC600 3.4 19.2 1.0
CHC A:HEC600 3.4 16.7 1.0
CE1 A:TYR294 3.7 22.2 1.0
CE2 A:TYR294 3.8 21.4 1.0
ND1 A:HIS205 4.2 24.7 1.0
CG A:HIS205 4.2 24.7 1.0
C2B A:HEC600 4.4 18.2 1.0
C3D A:HEC600 4.4 19.6 1.0
C2D A:HEC600 4.4 19.1 1.0
C3B A:HEC600 4.4 17.6 1.0
C3C A:HEC600 4.4 18.5 1.0
C2A A:HEC600 4.4 19.6 1.0
C2C A:HEC600 4.4 17.4 1.0
C3A A:HEC600 4.4 18.8 1.0
CD1 A:TYR294 4.9 21.7 1.0
CD2 A:TYR294 4.9 21.8 1.0

Iron binding site 3 out of 4 in 3pxs

Go back to Iron Binding Sites List in 3pxs
Iron binding site 3 out of 4 in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:24.0
occ:1.00
FE B:HEC500 0.0 24.0 1.0
NA B:HEC500 2.1 23.6 1.0
NC B:HEC500 2.1 24.5 1.0
NB B:HEC500 2.1 24.6 1.0
ND B:HEC500 2.1 24.1 1.0
NE2 B:HIS35 2.2 24.4 1.0
C1A B:HEC500 3.1 23.0 1.0
C4D B:HEC500 3.1 23.8 1.0
C4B B:HEC500 3.1 24.3 1.0
C1D B:HEC500 3.1 23.6 1.0
C1C B:HEC500 3.1 24.6 1.0
C4A B:HEC500 3.1 23.1 1.0
C4C B:HEC500 3.1 24.2 1.0
C1B B:HEC500 3.1 24.2 1.0
CE1 B:HIS35 3.2 24.5 1.0
CD2 B:HIS35 3.2 24.3 1.0
CHD B:HEC500 3.4 24.1 1.0
CHC B:HEC500 3.4 24.2 1.0
CHA B:HEC500 3.4 22.9 1.0
CHB B:HEC500 3.4 23.2 1.0
O B:HOH708 3.5 28.7 1.0
CG B:PRO107 4.2 27.8 1.0
NE2 B:GLN103 4.2 22.9 1.0
ND1 B:HIS35 4.3 24.8 1.0
CG B:HIS35 4.3 23.7 1.0
C2D B:HEC500 4.4 23.2 1.0
C3D B:HEC500 4.4 23.6 1.0
C2A B:HEC500 4.4 23.3 1.0
C3A B:HEC500 4.4 23.3 1.0
C3B B:HEC500 4.4 23.3 1.0
C2C B:HEC500 4.4 24.7 1.0
C3C B:HEC500 4.4 24.3 1.0
C2B B:HEC500 4.4 23.5 1.0
CB B:PRO107 4.8 27.5 1.0

Iron binding site 4 out of 4 in 3pxs

Go back to Iron Binding Sites List in 3pxs
Iron binding site 4 out of 4 in the Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase:


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Diferrous Maug in Complex with Pre-Methylamine Dehydrogenase: within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe600

b:17.1
occ:1.00
FE B:HEC600 0.0 17.1 1.0
ND B:HEC600 2.1 16.2 1.0
NE2 B:HIS205 2.1 19.0 1.0
NB B:HEC600 2.1 16.1 1.0
NA B:HEC600 2.1 16.6 1.0
NC B:HEC600 2.1 17.2 1.0
OH B:TYR294 2.1 18.8 1.0
CD2 B:HIS205 3.0 20.3 1.0
CZ B:TYR294 3.0 19.1 1.0
C1D B:HEC600 3.1 16.5 1.0
C4A B:HEC600 3.1 16.1 1.0
C1B B:HEC600 3.1 16.2 1.0
C4C B:HEC600 3.1 17.5 1.0
C4D B:HEC600 3.1 15.5 1.0
C1C B:HEC600 3.1 16.9 1.0
C1A B:HEC600 3.1 16.4 1.0
C4B B:HEC600 3.1 16.5 1.0
CE1 B:HIS205 3.1 19.6 1.0
CHD B:HEC600 3.4 16.7 1.0
CHB B:HEC600 3.4 15.5 1.0
CHA B:HEC600 3.5 15.8 1.0
CHC B:HEC600 3.5 14.9 1.0
CE1 B:TYR294 3.7 19.4 1.0
CE2 B:TYR294 3.8 19.7 1.0
CG B:HIS205 4.2 20.6 1.0
ND1 B:HIS205 4.2 20.1 1.0
C2D B:HEC600 4.4 15.2 1.0
C3D B:HEC600 4.4 14.9 1.0
C2B B:HEC600 4.4 17.2 1.0
C3A B:HEC600 4.4 17.6 1.0
C3C B:HEC600 4.4 18.5 1.0
C2C B:HEC600 4.4 18.2 1.0
C2A B:HEC600 4.4 16.5 1.0
C3B B:HEC600 4.4 16.6 1.0
CD1 B:TYR294 4.9 19.7 1.0

Reference:

E.T.Yukl, B.R.Goblirsch, V.L.Davidson, C.M.Wilmot. Crystal Structures of Co and No Adducts of Maug in Complex with Pre-Methylamine Dehydrogenase: Implications For the Mechanism of Dioxygen Activation. Biochemistry V. 50 2931 2011.
ISSN: ISSN 0006-2960
PubMed: 21355604
DOI: 10.1021/BI200023N
Page generated: Sun Aug 4 18:29:30 2024

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