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Iron in PDB 3pxw: Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase

Enzymatic activity of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase

All present enzymatic activity of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase:
1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxw was solved by E.T.Yukl, B.R.Goblirsch, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.49 / 2.11
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 (%) 18.9 / 24.2

Other elements in 3pxw:

The structure of Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase (pdb code 3pxw). 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase, PDB code: 3pxw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3pxw

Go back to Iron Binding Sites List in 3pxw
Iron binding site 1 out of 4 in the Crystal Structure of Ferrous No Adduct of 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:22.0
occ:1.00
FE A:HEC500 0.0 22.0 1.0
N A:NO375 1.9 22.0 1.0
NA A:HEC500 2.1 22.0 1.0
ND A:HEC500 2.1 22.0 1.0
NC A:HEC500 2.1 22.5 1.0
NB A:HEC500 2.1 22.2 1.0
NE2 A:HIS35 2.2 22.2 1.0
O A:NO375 2.9 22.2 1.0
C4D A:HEC500 3.1 21.4 1.0
C1D A:HEC500 3.1 21.7 1.0
C4A A:HEC500 3.1 21.8 1.0
C1C A:HEC500 3.1 22.1 1.0
C1A A:HEC500 3.1 21.3 1.0
C4B A:HEC500 3.1 22.1 1.0
C4C A:HEC500 3.1 22.0 1.0
C1B A:HEC500 3.1 22.0 1.0
CD2 A:HIS35 3.2 22.2 1.0
CE1 A:HIS35 3.2 21.7 1.0
CHC A:HEC500 3.4 21.7 1.0
CHA A:HEC500 3.4 21.6 1.0
CHD A:HEC500 3.4 21.8 1.0
CHB A:HEC500 3.4 21.1 1.0
NE2 A:GLN103 4.1 19.6 1.0
ND1 A:HIS35 4.3 21.2 1.0
CG A:HIS35 4.3 21.0 1.0
C3D A:HEC500 4.4 21.1 1.0
C2D A:HEC500 4.4 21.3 1.0
C3A A:HEC500 4.4 21.9 1.0
C2C A:HEC500 4.4 21.5 1.0
C2A A:HEC500 4.4 21.8 1.0
C3C A:HEC500 4.4 22.1 1.0
C3B A:HEC500 4.4 21.9 1.0
C2B A:HEC500 4.4 21.6 1.0
CG A:PRO107 4.6 22.9 1.0
CB A:PRO107 4.7 22.7 1.0

Iron binding site 2 out of 4 in 3pxw

Go back to Iron Binding Sites List in 3pxw
Iron binding site 2 out of 4 in the Crystal Structure of Ferrous No Adduct of 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe600

b:20.6
occ:1.00
FE A:HEC600 0.0 20.6 1.0
ND A:HEC600 2.1 19.8 1.0
NB A:HEC600 2.1 19.9 1.0
NA A:HEC600 2.1 19.9 1.0
NE2 A:HIS205 2.1 20.7 1.0
NC A:HEC600 2.1 19.5 1.0
OH A:TYR294 2.1 21.9 1.0
CZ A:TYR294 3.0 23.8 1.0
CD2 A:HIS205 3.1 21.2 1.0
CE1 A:HIS205 3.1 21.1 1.0
C1B A:HEC600 3.1 19.8 1.0
C4A A:HEC600 3.1 20.6 1.0
C4D A:HEC600 3.1 19.8 1.0
C1D A:HEC600 3.1 20.5 1.0
C1C A:HEC600 3.1 18.5 1.0
C4C A:HEC600 3.1 19.3 1.0
C1A A:HEC600 3.1 19.3 1.0
C4B A:HEC600 3.1 19.4 1.0
CHB A:HEC600 3.4 20.3 1.0
CHD A:HEC600 3.4 19.1 1.0
CHC A:HEC600 3.4 18.9 1.0
CHA A:HEC600 3.4 18.5 1.0
CE1 A:TYR294 3.6 23.4 1.0
CE2 A:TYR294 3.8 22.7 1.0
ND1 A:HIS205 4.2 21.6 1.0
CG A:HIS205 4.2 22.5 1.0
C3D A:HEC600 4.4 19.3 1.0
C2D A:HEC600 4.4 19.7 1.0
C2B A:HEC600 4.4 19.8 1.0
C3A A:HEC600 4.4 20.3 1.0
C2C A:HEC600 4.4 19.2 1.0
C3B A:HEC600 4.4 19.8 1.0
C3C A:HEC600 4.4 19.9 1.0
C2A A:HEC600 4.4 19.4 1.0
CD1 A:TYR294 4.8 22.7 1.0
CD2 A:TYR294 5.0 22.5 1.0

Iron binding site 3 out of 4 in 3pxw

Go back to Iron Binding Sites List in 3pxw
Iron binding site 3 out of 4 in the Crystal Structure of Ferrous No Adduct of 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:22.2
occ:1.00
FE B:HEC500 0.0 22.2 1.0
N B:NO375 1.9 25.7 1.0
NA B:HEC500 2.1 20.5 1.0
NB B:HEC500 2.1 21.3 1.0
ND B:HEC500 2.1 21.3 1.0
NC B:HEC500 2.1 22.5 1.0
NE2 B:HIS35 2.2 21.1 1.0
O B:NO375 3.0 25.9 1.0
C4D B:HEC500 3.1 21.0 1.0
C1D B:HEC500 3.1 21.4 1.0
C1A B:HEC500 3.1 20.0 1.0
C4B B:HEC500 3.1 21.1 1.0
C4A B:HEC500 3.1 19.9 1.0
C1B B:HEC500 3.1 20.0 1.0
C1C B:HEC500 3.1 22.1 1.0
C4C B:HEC500 3.1 22.3 1.0
CD2 B:HIS35 3.2 21.4 1.0
CE1 B:HIS35 3.2 20.7 1.0
CHA B:HEC500 3.4 19.4 1.0
CHC B:HEC500 3.4 22.0 1.0
CHB B:HEC500 3.4 19.0 1.0
CHD B:HEC500 3.4 21.3 1.0
NE2 B:GLN103 4.1 23.8 1.0
ND1 B:HIS35 4.3 21.5 1.0
CG B:HIS35 4.3 21.5 1.0
C3D B:HEC500 4.4 20.9 1.0
C2D B:HEC500 4.4 20.4 1.0
C3B B:HEC500 4.4 20.6 1.0
C3A B:HEC500 4.4 18.8 1.0
C2A B:HEC500 4.4 18.8 1.0
C2B B:HEC500 4.4 19.9 1.0
C2C B:HEC500 4.4 22.3 1.0
C3C B:HEC500 4.4 21.9 1.0
CG B:PRO107 4.6 24.5 1.0
CB B:PRO107 4.7 24.5 1.0

Iron binding site 4 out of 4 in 3pxw

Go back to Iron Binding Sites List in 3pxw
Iron binding site 4 out of 4 in the Crystal Structure of Ferrous No Adduct of 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 Ferrous No Adduct of Maug in Complex with Pre- Methylamine Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe600

b:18.3
occ:1.00
FE B:HEC600 0.0 18.3 1.0
OH B:TYR294 1.9 20.1 1.0
ND B:HEC600 2.1 18.1 1.0
NC B:HEC600 2.1 18.3 1.0
NA B:HEC600 2.1 18.8 1.0
NB B:HEC600 2.1 18.6 1.0
NE2 B:HIS205 2.1 18.6 1.0
CZ B:TYR294 2.9 21.1 1.0
CD2 B:HIS205 3.0 17.0 1.0
C1D B:HEC600 3.1 18.4 1.0
C4A B:HEC600 3.1 18.7 1.0
C1B B:HEC600 3.1 19.1 1.0
C4D B:HEC600 3.1 17.8 1.0
C4C B:HEC600 3.1 17.8 1.0
C1C B:HEC600 3.1 17.7 1.0
C1A B:HEC600 3.1 17.9 1.0
CE1 B:HIS205 3.1 18.2 1.0
C4B B:HEC600 3.1 18.4 1.0
CHD B:HEC600 3.4 17.4 1.0
CHB B:HEC600 3.4 18.5 1.0
CHA B:HEC600 3.4 17.0 1.0
CHC B:HEC600 3.5 16.6 1.0
CE2 B:TYR294 3.7 20.5 1.0
CE1 B:TYR294 3.7 21.4 1.0
CG B:HIS205 4.2 19.1 1.0
ND1 B:HIS205 4.2 17.4 1.0
C3D B:HEC600 4.4 18.3 1.0
C2D B:HEC600 4.4 18.8 1.0
C3A B:HEC600 4.4 19.2 1.0
C3C B:HEC600 4.4 17.6 1.0
C2B B:HEC600 4.4 20.0 1.0
C2C B:HEC600 4.4 18.3 1.0
C2A B:HEC600 4.4 18.1 1.0
C3B B:HEC600 4.4 19.3 1.0
CD2 B:TYR294 4.9 21.8 1.0
CD1 B:TYR294 4.9 20.6 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 Dec 13 15:18:25 2020

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