Atomistry » Iron » PDB 3tgu-3u3e » 3tol
Atomistry »
  Iron »
    PDB 3tgu-3u3e »
      3tol »

Iron in PDB 3tol: Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers

Protein crystallography data

The structure of Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers, PDB code: 3tol was solved by J.B.Brodin, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.28 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.546, 69.506, 126.567, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.5

Other elements in 3tol:

The structure of Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Zinc (Zn) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers (pdb code 3tol). 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 An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers, PDB code: 3tol:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3tol

Go back to Iron Binding Sites List in 3tol
Iron binding site 1 out of 4 in the Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers


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 An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe150

b:22.3
occ:1.00
FE A:HEM150 0.0 22.3 1.0
NB A:HEM150 2.1 22.3 1.0
ND A:HEM150 2.1 23.1 1.0
NE2 A:HIS102 2.1 20.6 1.0
NA A:HEM150 2.1 23.6 1.0
NC A:HEM150 2.1 21.3 1.0
SD A:MET7 2.3 22.1 1.0
CD2 A:HIS102 3.0 19.2 1.0
C4B A:HEM150 3.1 22.1 1.0
C4D A:HEM150 3.1 25.2 1.0
C1D A:HEM150 3.1 24.7 1.0
C1C A:HEM150 3.1 21.1 1.0
C1A A:HEM150 3.1 25.0 1.0
CE1 A:HIS102 3.1 21.6 1.0
C1B A:HEM150 3.1 22.9 1.0
C4A A:HEM150 3.1 25.0 1.0
C4C A:HEM150 3.1 21.5 1.0
CHC A:HEM150 3.4 19.9 1.0
CHA A:HEM150 3.4 26.1 1.0
CE A:MET7 3.4 19.0 1.0
CHD A:HEM150 3.4 22.8 1.0
CG A:MET7 3.5 20.6 1.0
CHB A:HEM150 3.5 22.5 1.0
ND1 A:HIS102 4.2 23.2 1.0
CG A:HIS102 4.2 22.9 1.0
CB A:MET7 4.2 22.1 1.0
C3B A:HEM150 4.3 20.2 1.0
C3D A:HEM150 4.3 25.2 1.0
C2B A:HEM150 4.3 20.8 1.0
C2A A:HEM150 4.3 28.4 1.0
C3A A:HEM150 4.3 25.4 1.0
C2D A:HEM150 4.3 24.6 1.0
C2C A:HEM150 4.3 19.2 1.0
C3C A:HEM150 4.4 21.0 1.0

Iron binding site 2 out of 4 in 3tol

Go back to Iron Binding Sites List in 3tol
Iron binding site 2 out of 4 in the Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers


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 An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe150

b:23.1
occ:1.00
FE C:HEM150 0.0 23.1 1.0
ND C:HEM150 1.9 20.2 1.0
NE2 C:HIS102 2.0 24.2 1.0
NB C:HEM150 2.0 19.8 1.0
NC C:HEM150 2.1 18.8 1.0
NA C:HEM150 2.1 21.5 1.0
SD C:MET7 2.4 26.0 1.0
C4D C:HEM150 2.9 26.0 1.0
C4B C:HEM150 2.9 22.7 1.0
CD2 C:HIS102 2.9 21.2 1.0
CE1 C:HIS102 3.0 25.1 1.0
C1C C:HEM150 3.0 19.0 1.0
C1A C:HEM150 3.1 23.7 1.0
C1D C:HEM150 3.1 23.0 1.0
C1B C:HEM150 3.1 23.4 1.0
C4C C:HEM150 3.2 17.6 1.0
C4A C:HEM150 3.2 22.9 1.0
CHC C:HEM150 3.3 19.3 1.0
CHA C:HEM150 3.3 22.8 1.0
CE C:MET7 3.4 23.9 1.0
CG C:MET7 3.5 26.2 1.0
CHD C:HEM150 3.5 19.9 1.0
CHB C:HEM150 3.6 22.4 1.0
ND1 C:HIS102 4.1 24.4 1.0
CG C:HIS102 4.1 25.2 1.0
C3D C:HEM150 4.2 25.9 1.0
C3B C:HEM150 4.2 21.8 1.0
CB C:MET7 4.2 27.3 1.0
C2D C:HEM150 4.2 22.9 1.0
C2B C:HEM150 4.3 22.1 1.0
C2C C:HEM150 4.3 17.6 1.0
C2A C:HEM150 4.3 25.1 1.0
C3C C:HEM150 4.4 18.2 1.0
C3A C:HEM150 4.4 25.1 1.0

Iron binding site 3 out of 4 in 3tol

Go back to Iron Binding Sites List in 3tol
Iron binding site 3 out of 4 in the Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers


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 An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe150

b:24.1
occ:1.00
FE D:HEM150 0.0 24.1 1.0
NE2 D:HIS102 1.9 25.8 1.0
NB D:HEM150 2.1 23.4 1.0
ND D:HEM150 2.1 26.6 1.0
NC D:HEM150 2.1 23.4 1.0
NA D:HEM150 2.1 25.2 1.0
SD D:MET7 2.4 26.0 1.0
CE1 D:HIS102 2.9 27.6 1.0
CD2 D:HIS102 2.9 25.8 1.0
C4B D:HEM150 3.0 23.0 1.0
C1C D:HEM150 3.1 22.5 1.0
C4D D:HEM150 3.1 27.9 1.0
C1A D:HEM150 3.1 27.6 1.0
C1D D:HEM150 3.1 27.4 1.0
C4C D:HEM150 3.1 23.6 1.0
C1B D:HEM150 3.1 25.3 1.0
C4A D:HEM150 3.1 26.6 1.0
CHC D:HEM150 3.4 22.2 1.0
CHA D:HEM150 3.4 27.4 1.0
CG D:MET7 3.5 26.1 1.0
CE D:MET7 3.5 22.7 1.0
CHD D:HEM150 3.5 25.2 1.0
CHB D:HEM150 3.5 25.2 1.0
ND1 D:HIS102 4.0 28.4 1.0
CG D:HIS102 4.0 29.6 1.0
C3B D:HEM150 4.3 22.8 1.0
CB D:MET7 4.3 27.3 1.0
C2C D:HEM150 4.3 23.9 1.0
C3D D:HEM150 4.3 30.1 1.0
C2A D:HEM150 4.3 31.3 1.0
C2B D:HEM150 4.3 24.0 1.0
C2D D:HEM150 4.3 27.9 1.0
C3C D:HEM150 4.3 23.1 1.0
C3A D:HEM150 4.3 29.5 1.0

Iron binding site 4 out of 4 in 3tol

Go back to Iron Binding Sites List in 3tol
Iron binding site 4 out of 4 in the Crystal Structure of An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers


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 An Engineered Cytochrome CB562 That Forms 1D, Zn- Mediated Coordination Polymers within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe150

b:19.9
occ:1.00
FE B:HEM150 0.0 19.9 1.0
NE2 B:HIS102 1.9 19.0 1.0
ND B:HEM150 2.1 21.6 1.0
NB B:HEM150 2.1 19.5 1.0
NC B:HEM150 2.1 20.3 1.0
NA B:HEM150 2.1 22.8 1.0
SD B:MET7 2.2 20.3 1.0
CE1 B:HIS102 2.9 20.3 1.0
CD2 B:HIS102 2.9 18.4 1.0
C4B B:HEM150 3.1 18.7 1.0
C1C B:HEM150 3.1 21.6 1.0
C4D B:HEM150 3.1 24.5 1.0
C1D B:HEM150 3.1 22.4 1.0
C4C B:HEM150 3.1 21.6 1.0
C1B B:HEM150 3.1 21.8 1.0
C1A B:HEM150 3.1 24.9 1.0
C4A B:HEM150 3.2 24.1 1.0
CE B:MET7 3.3 19.4 1.0
CHC B:HEM150 3.4 19.3 1.0
CG B:MET7 3.4 19.6 1.0
CHA B:HEM150 3.4 25.3 1.0
CHD B:HEM150 3.5 21.1 1.0
CHB B:HEM150 3.5 22.6 1.0
ND1 B:HIS102 4.0 22.0 1.0
CG B:HIS102 4.1 21.6 1.0
CB B:MET7 4.3 19.9 1.0
C3B B:HEM150 4.3 18.7 1.0
C2C B:HEM150 4.3 19.1 1.0
C3D B:HEM150 4.3 24.4 1.0
C2D B:HEM150 4.3 23.9 1.0
C3C B:HEM150 4.3 21.0 1.0
C2B B:HEM150 4.3 20.1 1.0
C2A B:HEM150 4.4 27.3 1.0
C3A B:HEM150 4.4 25.7 1.0

Reference:

J.D.Brodin, X.I.Ambroggio, C.Tang, K.N.Parent, T.S.Baker, F.A.Tezcan. Metal-Directed, Chemically Tunable Assembly of One-, Two- and Three-Dimensional Crystalline Protein Arrays. Nat Chem V. 4 375 2012.
PubMed: 22522257
DOI: 10.1038/NCHEM.1290
Page generated: Sun Dec 13 15:22:24 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy