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Iron in PDB 7t8p: Crystal Structure of T151V CAO1

Protein crystallography data

The structure of Crystal Structure of T151V CAO1, PDB code: 7t8p was solved by A.Daruwalla, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.08 / 1.90
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.507, 101.507, 450.646, 90, 90, 120
R / Rfree (%) 18.5 / 20.4

Other elements in 7t8p:

The structure of Crystal Structure of T151V CAO1 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of T151V CAO1 (pdb code 7t8p). 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 T151V CAO1, PDB code: 7t8p:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7t8p

Go back to Iron Binding Sites List in 7t8p
Iron binding site 1 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:31.2
occ:0.58
NE2 A:HIS248 2.1 35.4 1.0
NE2 A:HIS197 2.1 36.2 1.0
NE2 A:HIS313 2.1 34.4 1.0
NE2 A:HIS510 2.2 32.9 1.0
O A:HOH899 2.3 41.4 1.0
CD2 A:HIS313 2.9 34.9 1.0
CE1 A:HIS197 3.0 36.1 1.0
CD2 A:HIS248 3.1 32.1 1.0
CE1 A:HIS248 3.1 33.7 1.0
CE1 A:HIS510 3.1 33.4 1.0
CD2 A:HIS510 3.1 32.1 1.0
CD2 A:HIS197 3.2 34.4 1.0
CE1 A:HIS313 3.3 35.6 1.0
CG A:HIS313 4.1 35.4 1.0
ND1 A:HIS197 4.2 35.6 1.0
ND1 A:HIS510 4.2 31.3 1.0
ND1 A:HIS248 4.2 32.9 1.0
CG A:HIS510 4.2 31.8 1.0
CG A:HIS248 4.2 34.6 1.0
ND1 A:HIS313 4.3 39.3 1.0
CG A:HIS197 4.3 34.6 1.0
CG1 A:VAL151 4.3 31.3 1.0

Iron binding site 2 out of 4 in 7t8p

Go back to Iron Binding Sites List in 7t8p
Iron binding site 2 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:34.2
occ:0.65
NE2 B:HIS510 2.1 36.4 1.0
NE2 B:HIS248 2.1 35.6 1.0
NE2 B:HIS313 2.1 31.5 1.0
NE2 B:HIS197 2.2 29.4 1.0
O B:HOH943 2.3 40.3 1.0
CD2 B:HIS313 2.9 30.4 1.0
CE1 B:HIS197 3.0 29.3 1.0
CE1 B:HIS510 3.0 35.9 1.0
CD2 B:HIS510 3.1 35.0 1.0
CE1 B:HIS248 3.1 36.8 1.0
CD2 B:HIS248 3.1 32.5 1.0
CD2 B:HIS197 3.2 29.5 1.0
CE1 B:HIS313 3.3 31.9 1.0
ND1 B:HIS510 4.1 33.5 1.0
CG B:HIS313 4.1 30.7 1.0
CG B:HIS510 4.1 35.5 1.0
ND1 B:HIS197 4.2 29.4 1.0
ND1 B:HIS248 4.2 34.1 1.0
CG B:HIS248 4.2 33.6 1.0
ND1 B:HIS313 4.3 31.6 1.0
CG B:HIS197 4.3 28.4 1.0
CG1 B:VAL151 4.4 30.2 1.0

Iron binding site 3 out of 4 in 7t8p

Go back to Iron Binding Sites List in 7t8p
Iron binding site 3 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe601

b:40.7
occ:0.61
NE2 C:HIS510 2.1 42.0 1.0
NE2 C:HIS248 2.1 41.3 1.0
NE2 C:HIS313 2.1 38.0 1.0
NE2 C:HIS197 2.1 38.8 1.0
O C:HOH823 2.4 59.6 1.0
CD2 C:HIS313 2.9 37.1 1.0
CE1 C:HIS197 3.0 39.3 1.0
CE1 C:HIS510 3.0 41.4 1.0
CD2 C:HIS510 3.1 38.3 1.0
CE1 C:HIS248 3.1 39.7 1.0
CD2 C:HIS248 3.1 40.7 1.0
CD2 C:HIS197 3.2 39.0 1.0
CE1 C:HIS313 3.3 39.7 1.0
ND1 C:HIS510 4.1 38.6 1.0
CG C:HIS313 4.1 39.0 1.0
CG C:HIS510 4.1 39.2 1.0
ND1 C:HIS197 4.2 39.7 1.0
ND1 C:HIS248 4.2 38.6 1.0
CG C:HIS248 4.2 40.5 1.0
ND1 C:HIS313 4.3 37.1 1.0
CG C:HIS197 4.3 38.4 1.0
CG1 C:VAL151 4.4 30.4 1.0

Iron binding site 4 out of 4 in 7t8p

Go back to Iron Binding Sites List in 7t8p
Iron binding site 4 out of 4 in the Crystal Structure of T151V CAO1


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 T151V CAO1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe601

b:34.1
occ:0.68
NE2 D:HIS248 2.1 37.3 1.0
NE2 D:HIS510 2.1 30.3 1.0
NE2 D:HIS313 2.1 30.7 1.0
NE2 D:HIS197 2.2 31.1 1.0
O D:HOH1030 2.4 40.8 1.0
CD2 D:HIS313 2.9 29.4 1.0
CE1 D:HIS197 3.0 30.2 1.0
CD2 D:HIS510 3.1 30.1 1.0
CE1 D:HIS510 3.1 30.9 1.0
CE1 D:HIS248 3.1 35.0 1.0
CD2 D:HIS248 3.1 36.0 1.0
CD2 D:HIS197 3.2 29.5 1.0
CE1 D:HIS313 3.2 30.3 1.0
ND1 D:HIS510 4.1 30.4 1.0
CG D:HIS313 4.1 28.4 1.0
CG D:HIS510 4.2 29.4 1.0
ND1 D:HIS197 4.2 30.4 1.0
ND1 D:HIS248 4.2 33.4 1.0
ND1 D:HIS313 4.2 30.7 1.0
CG D:HIS248 4.3 34.7 1.0
CG D:HIS197 4.3 29.2 1.0
CG1 D:VAL151 4.3 26.2 1.0

Reference:

A.Daruwalla, P.D.Kiser. Crystal Structure of T151V CAO1 To Be Published.
Page generated: Fri Aug 9 01:03:58 2024

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