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Iron in PDB 6ai5: Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3

Protein crystallography data

The structure of Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3, PDB code: 6ai5 was solved by W.J.Song, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.60 / 1.81
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 57.562, 76.871, 96.425, 90.00, 105.84, 90.00
R / Rfree (%) 17.5 / 20.9

Other elements in 6ai5:

The structure of Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Zinc (Zn) 8 atoms
Chlorine (Cl) 5 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 (pdb code 6ai5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3, PDB code: 6ai5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6ai5

Go back to Iron Binding Sites List in 6ai5
Iron binding site 1 out of 4 in the Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:20.1
occ:1.00
FE A:HEM201 0.0 20.1 1.0
ND A:HEM201 1.9 20.9 1.0
NE2 A:HIS102 2.0 20.4 1.0
NA A:HEM201 2.0 21.5 1.0
NC A:HEM201 2.1 18.6 1.0
NB A:HEM201 2.1 19.8 1.0
SD A:MET7 2.3 18.6 1.0
C4D A:HEM201 2.9 20.2 1.0
C1D A:HEM201 3.0 18.8 1.0
CE1 A:HIS102 3.0 20.4 1.0
C1A A:HEM201 3.0 22.4 1.0
CD2 A:HIS102 3.0 20.1 1.0
C4C A:HEM201 3.0 18.2 1.0
C4B A:HEM201 3.0 17.9 1.0
C4A A:HEM201 3.1 21.3 1.0
C1B A:HEM201 3.1 19.7 1.0
C1C A:HEM201 3.1 17.2 1.0
CE A:MET7 3.3 19.4 1.0
CHA A:HEM201 3.4 21.9 1.0
CHD A:HEM201 3.4 19.3 1.0
CG A:MET7 3.4 18.1 1.0
CHC A:HEM201 3.5 16.9 1.0
CHB A:HEM201 3.5 20.7 1.0
ND1 A:HIS102 4.1 20.1 1.0
CG A:HIS102 4.1 19.4 1.0
CB A:MET7 4.2 18.8 1.0
C2A A:HEM201 4.2 24.6 1.0
C3D A:HEM201 4.2 21.9 1.0
C2D A:HEM201 4.2 20.7 1.0
C3A A:HEM201 4.2 23.7 1.0
C3C A:HEM201 4.3 17.7 1.0
C2C A:HEM201 4.3 16.8 1.0
C2B A:HEM201 4.3 18.4 1.0
C3B A:HEM201 4.3 17.9 1.0
CA A:MET7 5.0 18.5 1.0

Iron binding site 2 out of 4 in 6ai5

Go back to Iron Binding Sites List in 6ai5
Iron binding site 2 out of 4 in the Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:17.5
occ:1.00
FE C:HEM201 0.0 17.5 1.0
ND C:HEM201 1.9 18.4 1.0
NA C:HEM201 2.0 18.4 1.0
NE2 C:HIS102 2.0 17.5 1.0
NB C:HEM201 2.1 17.4 1.0
NC C:HEM201 2.1 17.2 1.0
SD C:MET7 2.3 18.0 1.0
C4D C:HEM201 2.9 18.2 1.0
CE1 C:HIS102 3.0 17.6 1.0
C1D C:HEM201 3.0 16.8 1.0
C1A C:HEM201 3.0 19.1 1.0
C4A C:HEM201 3.0 18.4 1.0
C4B C:HEM201 3.0 16.7 1.0
C1B C:HEM201 3.1 17.8 1.0
CD2 C:HIS102 3.1 17.6 1.0
C4C C:HEM201 3.1 16.5 1.0
C1C C:HEM201 3.1 16.4 1.0
CE C:MET7 3.3 19.6 1.0
CHA C:HEM201 3.3 19.4 1.0
CG C:MET7 3.4 18.1 1.0
CHB C:HEM201 3.4 16.9 1.0
CHD C:HEM201 3.5 16.6 1.0
CHC C:HEM201 3.5 16.8 1.0
CB C:MET7 4.1 17.6 1.0
ND1 C:HIS102 4.1 18.2 1.0
CG C:HIS102 4.2 17.9 1.0
C2A C:HEM201 4.2 19.9 1.0
C3A C:HEM201 4.2 19.3 1.0
C3D C:HEM201 4.2 20.8 1.0
C2D C:HEM201 4.2 18.9 1.0
C2B C:HEM201 4.3 17.2 1.0
C2C C:HEM201 4.3 16.2 1.0
C3C C:HEM201 4.3 15.7 1.0
C3B C:HEM201 4.3 16.6 1.0
CA C:MET7 4.9 17.4 1.0

Iron binding site 3 out of 4 in 6ai5

Go back to Iron Binding Sites List in 6ai5
Iron binding site 3 out of 4 in the Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe201

b:19.1
occ:1.00
FE E:HEM201 0.0 19.1 1.0
ND E:HEM201 1.9 20.8 1.0
NE2 E:HIS102 2.0 19.3 1.0
NA E:HEM201 2.0 22.4 1.0
NB E:HEM201 2.1 19.9 1.0
NC E:HEM201 2.1 18.8 1.0
SD E:MET7 2.3 20.1 1.0
C4D E:HEM201 2.9 23.2 1.0
C1D E:HEM201 2.9 21.2 1.0
CE1 E:HIS102 3.0 19.1 1.0
C1A E:HEM201 3.0 24.2 1.0
CD2 E:HIS102 3.0 19.4 1.0
C4B E:HEM201 3.0 18.8 1.0
C4A E:HEM201 3.1 23.1 1.0
C1B E:HEM201 3.1 19.6 1.0
C1C E:HEM201 3.1 18.9 1.0
C4C E:HEM201 3.1 18.9 1.0
CHA E:HEM201 3.4 22.9 1.0
CE E:MET7 3.4 21.5 1.0
CG E:MET7 3.4 19.6 1.0
CHC E:HEM201 3.4 18.6 1.0
CHD E:HEM201 3.4 19.7 1.0
CHB E:HEM201 3.5 21.7 1.0
ND1 E:HIS102 4.1 19.1 1.0
CG E:HIS102 4.1 19.0 1.0
CB E:MET7 4.2 19.6 1.0
C2D E:HEM201 4.2 22.6 1.0
C3D E:HEM201 4.2 24.6 1.0
C2A E:HEM201 4.2 27.8 1.0
C3A E:HEM201 4.2 25.9 1.0
C2B E:HEM201 4.3 19.2 1.0
C2C E:HEM201 4.3 18.4 1.0
C3B E:HEM201 4.3 18.9 1.0
C3C E:HEM201 4.3 17.4 1.0
NH2 E:ARG106 4.9 43.3 1.0
CA E:MET7 5.0 20.1 1.0

Iron binding site 4 out of 4 in 6ai5

Go back to Iron Binding Sites List in 6ai5
Iron binding site 4 out of 4 in the Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe201

b:21.2
occ:1.00
FE G:HEM201 0.0 21.2 1.0
ND G:HEM201 1.9 22.7 1.0
NE2 G:HIS102 2.0 19.4 1.0
NA G:HEM201 2.0 22.5 1.0
NC G:HEM201 2.1 20.0 1.0
NB G:HEM201 2.1 21.7 1.0
SD G:MET7 2.3 20.8 1.0
C4D G:HEM201 2.9 23.8 1.0
C1D G:HEM201 2.9 22.6 1.0
CE1 G:HIS102 3.0 20.6 1.0
C1A G:HEM201 3.0 24.1 1.0
CD2 G:HIS102 3.0 20.8 1.0
C4A G:HEM201 3.0 22.6 1.0
C4B G:HEM201 3.1 20.7 1.0
C4C G:HEM201 3.1 20.2 1.0
C1B G:HEM201 3.1 22.2 1.0
C1C G:HEM201 3.1 19.5 1.0
CHA G:HEM201 3.4 24.1 1.0
CE G:MET7 3.4 19.8 1.0
CHD G:HEM201 3.4 21.4 1.0
CHC G:HEM201 3.4 19.4 1.0
CG G:MET7 3.5 19.4 1.0
CHB G:HEM201 3.5 21.6 1.0
ND1 G:HIS102 4.1 19.4 1.0
CG G:HIS102 4.2 20.9 1.0
CB G:MET7 4.2 19.6 1.0
C3D G:HEM201 4.2 26.2 1.0
C2A G:HEM201 4.2 25.3 1.0
C2D G:HEM201 4.2 24.3 1.0
C3A G:HEM201 4.2 24.1 1.0
C2C G:HEM201 4.3 19.2 1.0
C3C G:HEM201 4.3 20.1 1.0
C2B G:HEM201 4.3 20.9 1.0
C3B G:HEM201 4.3 20.6 1.0
CA G:MET7 5.0 19.6 1.0

Reference:

W.J.Song, F.A.Tezcan. Disulfide-Free, Zn-Directed Tetramer of the Engineered Cyt CB562 Variant, C96T/A104AB3 To Be Published.
Page generated: Sun Dec 13 16:20:16 2020

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