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Iron in PDB 6mpy: B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide

Enzymatic activity of B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide

All present enzymatic activity of B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide:
1.11.1.21;

Protein crystallography data

The structure of B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide, PDB code: 6mpy was solved by P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.91 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 100.910, 115.790, 175.010, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 18.4

Other elements in 6mpy:

The structure of B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide (pdb code 6mpy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide, PDB code: 6mpy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6mpy

Go back to Iron Binding Sites List in 6mpy
Iron binding site 1 out of 2 in the B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:20.5
occ:1.00
FE A:HEM801 0.0 20.5 1.0
ND A:HEM801 1.9 19.4 1.0
NE2 A:HIS279 2.0 21.1 1.0
NA A:HEM801 2.0 21.0 1.0
NB A:HEM801 2.1 21.0 1.0
NC A:HEM801 2.1 19.1 1.0
O A:HOH914 2.6 32.4 1.0
C4D A:HEM801 2.9 19.7 1.0
C1D A:HEM801 2.9 19.0 1.0
CE1 A:HIS279 3.0 23.2 1.0
CD2 A:HIS279 3.0 19.7 1.0
C1A A:HEM801 3.0 20.1 1.0
C4B A:HEM801 3.0 21.5 1.0
C1B A:HEM801 3.1 22.7 1.0
C4C A:HEM801 3.1 19.5 1.0
C4A A:HEM801 3.1 21.4 1.0
C1C A:HEM801 3.1 18.8 1.0
CHA A:HEM801 3.4 20.1 1.0
CHD A:HEM801 3.4 18.9 1.0
CHC A:HEM801 3.5 19.5 1.0
CHB A:HEM801 3.5 21.2 1.0
ND1 A:HIS279 4.1 22.2 1.0
CG A:HIS279 4.1 20.9 1.0
O1 A:OXY804 4.2 41.1 1.0
C2D A:HEM801 4.2 19.4 1.0
C3D A:HEM801 4.2 19.5 1.0
C2A A:HEM801 4.3 21.1 1.0
C3A A:HEM801 4.3 22.2 1.0
C2B A:HEM801 4.3 24.2 1.0
C3B A:HEM801 4.3 22.8 1.0
C2C A:HEM801 4.3 18.3 1.0
C3C A:HEM801 4.3 19.0 1.0
NE1 A:TRP111 4.3 18.3 1.0
O A:HOH1454 4.4 32.7 1.0
CD1 A:TRP111 4.6 17.9 1.0

Iron binding site 2 out of 2 in 6mpy

Go back to Iron Binding Sites List in 6mpy
Iron binding site 2 out of 2 in the B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of B. Pseudomallei Katg Crystallized in the Presence of Benzoyl Hydrazide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:18.2
occ:1.00
FE B:HEM801 0.0 18.2 1.0
ND B:HEM801 1.9 18.8 1.0
NE2 B:HIS279 2.0 18.7 1.0
NA B:HEM801 2.0 17.1 1.0
NC B:HEM801 2.1 16.9 1.0
NB B:HEM801 2.1 17.1 1.0
O B:HOH1019 2.5 28.2 1.0
C4D B:HEM801 2.9 17.4 1.0
C1D B:HEM801 3.0 17.2 1.0
C1A B:HEM801 3.0 17.1 1.0
CD2 B:HIS279 3.0 18.4 1.0
CE1 B:HIS279 3.0 17.8 1.0
C4B B:HEM801 3.0 17.1 1.0
C1B B:HEM801 3.0 17.4 1.0
C4C B:HEM801 3.0 17.8 1.0
C4A B:HEM801 3.0 17.9 1.0
C1C B:HEM801 3.1 17.1 1.0
CHA B:HEM801 3.4 16.7 1.0
CHD B:HEM801 3.4 17.2 1.0
CHB B:HEM801 3.4 17.0 1.0
CHC B:HEM801 3.4 17.1 1.0
ND1 B:HIS279 4.1 18.1 1.0
CG B:HIS279 4.2 18.6 1.0
C3D B:HEM801 4.2 18.2 1.0
C2D B:HEM801 4.2 17.3 1.0
C2A B:HEM801 4.2 17.3 1.0
C3A B:HEM801 4.2 17.7 1.0
C2B B:HEM801 4.2 17.0 1.0
C3B B:HEM801 4.3 17.8 1.0
C3C B:HEM801 4.3 16.8 1.0
C2C B:HEM801 4.3 17.5 1.0
O B:HOH1473 4.3 32.7 1.0
NE1 B:TRP111 4.3 17.9 1.0
O1 B:OXY803 4.5 30.6 1.0
CD1 B:TRP111 4.5 17.4 1.0

Reference:

P.C.Loewen, P.C.Loewen. N/A N/A.
Page generated: Sun Dec 13 16:44:15 2020

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