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Iron in PDB 3sle: Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex

Enzymatic activity of Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex

All present enzymatic activity of Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex:
1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex, PDB code: 3sle was solved by E.T.Yukl, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.86 / 2.52
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.851, 88.530, 107.698, 116.21, 91.83, 99.35
R / Rfree (%) 17.4 / 24.3

Other elements in 3sle:

The structure of Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex (pdb code 3sle). 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 the P107C-Maug/Pre-Methylamine Dehydrogenase Complex, PDB code: 3sle:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3sle

Go back to Iron Binding Sites List in 3sle
Iron binding site 1 out of 4 in the Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex


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 the P107C-Maug/Pre-Methylamine Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:45.6
occ:1.00
 FE A:HEC402 0.0 45.6 1.0
ND A:HEC402 2.0 45.5 1.0
NE2 A:HIS35 2.0 46.1 1.0
NB A:HEC402 2.0 44.5 1.0
NA A:HEC402 2.0 43.4 1.0
NC A:HEC402 2.1 47.5 1.0
OD1 A:CSD107 2.1 54.8 1.0
CD2 A:HIS35 3.0 44.6 1.0
C4D A:HEC402 3.0 44.5 1.0
CE1 A:HIS35 3.0 47.2 1.0
C1B A:HEC402 3.0 43.5 1.0
C4B A:HEC402 3.0 44.1 1.0
C1D A:HEC402 3.0 46.5 1.0
C4A A:HEC402 3.0 44.3 1.0
C1A A:HEC402 3.0 42.4 1.0
C4C A:HEC402 3.1 48.6 1.0
C1C A:HEC402 3.1 45.7 1.0
CHA A:HEC402 3.4 42.9 1.0
CHB A:HEC402 3.4 42.5 1.0
CHD A:HEC402 3.4 49.4 1.0
CHC A:HEC402 3.4 46.0 1.0
SG A:CSD107 3.4 56.8 1.0
ND1 A:HIS35 4.1 44.3 1.0
CG A:HIS35 4.1 44.2 1.0
NE2 A:GLN103 4.2 40.3 1.0
OD2 A:CSD107 4.2 54.9 1.0
C3B A:HEC402 4.2 42.5 1.0
C2B A:HEC402 4.2 43.9 1.0
C3D A:HEC402 4.2 45.8 1.0
C2D A:HEC402 4.2 45.8 1.0
C3A A:HEC402 4.3 41.4 1.0
C2A A:HEC402 4.3 41.0 1.0
C3C A:HEC402 4.3 48.9 1.0
C2C A:HEC402 4.3 47.5 1.0
CB A:CSD107 4.6 53.1 1.0

Iron binding site 2 out of 4 in 3sle

Go back to Iron Binding Sites List in 3sle
Iron binding site 2 out of 4 in the Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex


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 the P107C-Maug/Pre-Methylamine Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:45.3
occ:1.00
 FE A:HEC403 0.0 45.3 1.0
OH A:TYR294 1.9 42.2 1.0
NA A:HEC403 2.0 39.8 1.0
NB A:HEC403 2.0 43.1 1.0
NE2 A:HIS205 2.0 39.5 1.0
ND A:HEC403 2.0 40.4 1.0
NC A:HEC403 2.0 41.7 1.0
CZ A:TYR294 2.8 42.3 1.0
CE1 A:HIS205 2.8 38.6 1.0
C4A A:HEC403 3.0 41.5 1.0
C1B A:HEC403 3.0 44.2 1.0
C4B A:HEC403 3.0 45.3 1.0
C1A A:HEC403 3.0 40.0 1.0
C1D A:HEC403 3.0 41.0 1.0
C4D A:HEC403 3.0 39.9 1.0
C4C A:HEC403 3.1 42.8 1.0
C1C A:HEC403 3.1 43.1 1.0
CD2 A:HIS205 3.1 39.3 1.0
CHB A:HEC403 3.3 43.1 1.0
CHD A:HEC403 3.4 41.2 1.0
CHA A:HEC403 3.4 40.6 1.0
CHC A:HEC403 3.4 44.4 1.0
CE1 A:TYR294 3.6 41.8 1.0
CE2 A:TYR294 3.7 40.1 1.0
ND1 A:HIS205 4.0 40.5 1.0
CG A:HIS205 4.2 41.0 1.0
C2B A:HEC403 4.2 44.2 1.0
C3A A:HEC403 4.2 41.1 1.0
C3B A:HEC403 4.2 45.3 1.0
C3D A:HEC403 4.3 38.2 1.0
C2A A:HEC403 4.3 40.7 1.0
C2D A:HEC403 4.3 38.9 1.0
C3C A:HEC403 4.3 45.0 1.0
C2C A:HEC403 4.3 43.9 1.0
CD1 A:TYR294 4.8 42.4 1.0
CD2 A:TYR294 4.9 41.4 1.0

Iron binding site 3 out of 4 in 3sle

Go back to Iron Binding Sites List in 3sle
Iron binding site 3 out of 4 in the Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex


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 the P107C-Maug/Pre-Methylamine Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:42.7
occ:1.00
 FE B:HEC402 0.0 42.7 1.0
NC B:HEC402 1.9 43.4 1.0
NB B:HEC402 2.0 40.7 1.0
NE2 B:HIS35 2.0 44.7 1.0
ND B:HEC402 2.0 40.6 1.0
OD1 B:CSD107 2.0 53.3 1.0
NA B:HEC402 2.1 39.1 1.0
CD2 B:HIS35 2.9 43.2 1.0
C1C B:HEC402 2.9 44.5 1.0
C4B B:HEC402 3.0 42.4 1.0
C4C B:HEC402 3.0 44.6 1.0
C4D B:HEC402 3.0 38.8 1.0
C1D B:HEC402 3.1 41.8 1.0
C1B B:HEC402 3.1 41.5 1.0
CE1 B:HIS35 3.1 44.4 1.0
C1A B:HEC402 3.1 37.1 1.0
C4A B:HEC402 3.1 39.9 1.0
CHC B:HEC402 3.3 44.3 1.0
CHA B:HEC402 3.4 37.5 1.0
SG B:CSD107 3.4 54.9 1.0
CHD B:HEC402 3.4 42.4 1.0
CHB B:HEC402 3.4 41.1 1.0
NE2 B:GLN103 4.1 37.0 1.0
CG B:HIS35 4.1 43.3 1.0
ND1 B:HIS35 4.1 42.5 1.0
OD2 B:CSD107 4.2 52.6 1.0
C2C B:HEC402 4.2 45.7 1.0
C3B B:HEC402 4.2 41.2 1.0
C3C B:HEC402 4.2 46.5 1.0
C2B B:HEC402 4.3 40.6 1.0
C3D B:HEC402 4.3 39.1 1.0
C2D B:HEC402 4.3 39.9 1.0
C3A B:HEC402 4.3 37.7 1.0
C2A B:HEC402 4.3 34.3 1.0
CB B:CSD107 4.5 51.4 1.0
CD2 B:LEU70 5.0 35.8 1.0

Iron binding site 4 out of 4 in 3sle

Go back to Iron Binding Sites List in 3sle
Iron binding site 4 out of 4 in the Crystal Structure of the P107C-Maug/Pre-Methylamine Dehydrogenase Complex


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 the P107C-Maug/Pre-Methylamine Dehydrogenase Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe404

b:29.2
occ:1.00
 FE B:HEC404 0.0 29.2 1.0
NB B:HEC404 2.0 26.4 1.0
NC B:HEC404 2.0 24.9 1.0
OH B:TYR294 2.0 33.5 1.0
NA B:HEC404 2.0 30.0 1.0
NE2 B:HIS205 2.0 30.9 1.0
ND B:HEC404 2.0 26.1 1.0
CE1 B:HIS205 2.8 30.0 1.0
CZ B:TYR294 2.9 32.6 1.0
C1B B:HEC404 2.9 28.7 1.0
C4C B:HEC404 2.9 24.6 1.0
C4A B:HEC404 3.0 27.2 1.0
C1D B:HEC404 3.0 26.3 1.0
C1C B:HEC404 3.0 26.6 1.0
C4B B:HEC404 3.1 27.8 1.0
C1A B:HEC404 3.1 28.7 1.0
C4D B:HEC404 3.1 26.5 1.0
CD2 B:HIS205 3.1 30.0 1.0
CHB B:HEC404 3.3 28.6 1.0
CHD B:HEC404 3.3 23.8 1.0
CHA B:HEC404 3.5 26.2 1.0
CHC B:HEC404 3.5 26.2 1.0
CE1 B:TYR294 3.6 31.5 1.0
CE2 B:TYR294 3.8 28.6 1.0
ND1 B:HIS205 4.0 32.6 1.0
CG B:HIS205 4.2 32.4 1.0
C2B B:HEC404 4.2 28.6 1.0
C3C B:HEC404 4.2 27.6 1.0
C3A B:HEC404 4.2 26.8 1.0
C2C B:HEC404 4.2 28.9 1.0
C2A B:HEC404 4.3 24.7 1.0
C3B B:HEC404 4.3 27.6 1.0
C2D B:HEC404 4.3 26.4 1.0
C3D B:HEC404 4.3 24.5 1.0
CD1 B:TYR294 4.8 31.4 1.0
CD2 B:TYR294 5.0 29.3 1.0

Reference:

M.Feng, L.M.Jensen, E.T.Yukl, X.Wei, A.Liu, C.M.Wilmot, V.L.Davidson. Proline 107 Is A Major Determinant in Maintaining the Structure of the Distal Pocket and Reactivity of the High-Spin Heme of Maug. Biochemistry V. 51 1598 2012.
ISSN: ISSN 0006-2960
PubMed: 22299652
DOI: 10.1021/BI201882E
Page generated: Sun Aug 4 20:00:03 2024

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