Atomistry » Iron » PDB 7pr3-7qhm » 7pr3
Atomistry »
  Iron »
    PDB 7pr3-7qhm »
      7pr3 »

Iron in PDB 7pr3: Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster

Protein crystallography data

The structure of Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster, PDB code: 7pr3 was solved by R.J.Flood, K.Ramberg, F.Guagnini, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.55 / 2.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.135, 79.772, 105.14, 90, 90, 90
R / Rfree (%) 20.7 / 25.3

Other elements in 7pr3:

The structure of Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster also contains other interesting chemical elements:

Zinc (Zn) 37 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster (pdb code 7pr3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster, PDB code: 7pr3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 7pr3

Go back to Iron Binding Sites List in 7pr3
Iron binding site 1 out of 4 in the Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:31.2
occ:1.00
FE A:HEC201 0.0 31.2 1.0
NC A:HEC201 2.0 34.0 1.0
NB A:HEC201 2.0 34.0 1.0
NA A:HEC201 2.0 33.3 1.0
ND A:HEC201 2.1 32.1 1.0
NE2 A:HIS18 2.3 31.0 1.0
SD A:MET80 2.5 37.5 1.0
C4C A:HEC201 3.0 33.3 1.0
C1D A:HEC201 3.0 33.9 1.0
C1B A:HEC201 3.0 33.0 1.0
C4A A:HEC201 3.0 32.8 1.0
C1C A:HEC201 3.0 34.3 1.0
C4B A:HEC201 3.1 33.3 1.0
C1A A:HEC201 3.1 32.4 1.0
C4D A:HEC201 3.1 32.9 1.0
CD2 A:HIS18 3.2 32.2 1.0
CG A:MET80 3.3 34.1 1.0
CE1 A:HIS18 3.3 31.6 1.0
CHD A:HEC201 3.4 33.8 1.0
CE A:MET80 3.4 34.4 1.0
CHB A:HEC201 3.4 32.2 1.0
CHC A:HEC201 3.4 33.9 1.0
CHA A:HEC201 3.5 33.0 1.0
CB A:MET80 4.2 35.6 1.0
C2C A:HEC201 4.2 34.6 1.0
C3C A:HEC201 4.2 33.8 1.0
C2B A:HEC201 4.3 34.6 1.0
C3A A:HEC201 4.3 33.2 1.0
C3B A:HEC201 4.3 34.9 1.0
C2D A:HEC201 4.3 33.5 1.0
C2A A:HEC201 4.3 33.6 1.0
C3D A:HEC201 4.4 33.5 1.0
CG A:HIS18 4.4 32.1 1.0
ND1 A:HIS18 4.4 31.5 1.0
OH A:TYR67 4.9 34.5 1.0

Iron binding site 2 out of 4 in 7pr3

Go back to Iron Binding Sites List in 7pr3
Iron binding site 2 out of 4 in the Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:30.8
occ:1.00
FE B:HEC201 0.0 30.8 1.0
NC B:HEC201 2.0 33.5 1.0
ND B:HEC201 2.1 32.6 1.0
NA B:HEC201 2.1 32.2 1.0
NB B:HEC201 2.1 33.6 1.0
NE2 B:HIS18 2.3 32.2 1.0
SD B:MET80 2.5 33.3 1.0
C1D B:HEC201 3.0 33.0 1.0
C4C B:HEC201 3.0 34.0 1.0
CD2 B:HIS18 3.1 33.0 1.0
C1B B:HEC201 3.1 32.5 1.0
C1C B:HEC201 3.1 34.3 1.0
C4A B:HEC201 3.1 32.5 1.0
C4D B:HEC201 3.1 33.0 1.0
C1A B:HEC201 3.1 32.7 1.0
C4B B:HEC201 3.1 33.6 1.0
CG B:MET80 3.2 34.7 1.0
CE B:MET80 3.2 34.2 1.0
CHD B:HEC201 3.3 33.5 1.0
CE1 B:HIS18 3.4 32.0 1.0
CHB B:HEC201 3.4 31.6 1.0
CHA B:HEC201 3.5 33.1 1.0
CHC B:HEC201 3.5 35.2 1.0
C3C B:HEC201 4.3 34.9 1.0
C2C B:HEC201 4.3 34.8 1.0
C2D B:HEC201 4.3 33.1 1.0
CB B:MET80 4.3 33.8 1.0
CG B:HIS18 4.3 31.7 1.0
C2B B:HEC201 4.3 34.3 1.0
C3B B:HEC201 4.3 33.2 1.0
C3A B:HEC201 4.3 32.8 1.0
C3D B:HEC201 4.3 33.4 1.0
C2A B:HEC201 4.4 31.3 1.0
ND1 B:HIS18 4.4 32.1 1.0
OH B:TYR67 4.7 33.1 1.0

Iron binding site 3 out of 4 in 7pr3

Go back to Iron Binding Sites List in 7pr3
Iron binding site 3 out of 4 in the Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe604

b:38.8
occ:1.00
FE C:HEC604 0.0 38.8 1.0
NC C:HEC604 2.0 41.8 1.0
ND C:HEC604 2.0 41.1 1.0
NA C:HEC604 2.1 39.8 1.0
NB C:HEC604 2.1 41.5 1.0
NE2 C:HIS18 2.2 39.6 1.0
SD C:MET80 2.5 42.1 1.0
C1D C:HEC604 3.0 41.0 1.0
C4C C:HEC604 3.0 42.4 1.0
C4D C:HEC604 3.0 40.8 1.0
C1C C:HEC604 3.1 42.9 1.0
C1A C:HEC604 3.1 39.3 1.0
C4A C:HEC604 3.1 39.0 1.0
CD2 C:HIS18 3.1 41.2 1.0
C1B C:HEC604 3.1 40.7 1.0
C4B C:HEC604 3.1 41.9 1.0
CE1 C:HIS18 3.2 41.0 1.0
CG C:MET80 3.3 41.8 1.0
CHD C:HEC604 3.3 42.1 1.0
CE C:MET80 3.4 42.1 1.0
CHA C:HEC604 3.4 39.8 1.0
CHC C:HEC604 3.5 42.6 1.0
CHB C:HEC604 3.5 40.0 1.0
CB C:MET80 4.1 41.2 1.0
C3C C:HEC604 4.2 43.5 1.0
C2D C:HEC604 4.2 40.8 1.0
C2C C:HEC604 4.2 43.3 1.0
C3D C:HEC604 4.3 40.2 1.0
CG C:HIS18 4.3 41.3 1.0
C2A C:HEC604 4.3 38.8 1.0
C3A C:HEC604 4.3 38.6 1.0
ND1 C:HIS18 4.3 40.5 1.0
C2B C:HEC604 4.3 40.5 1.0
C3B C:HEC604 4.4 41.2 1.0
OH C:TYR67 4.9 40.1 1.0

Iron binding site 4 out of 4 in 7pr3

Go back to Iron Binding Sites List in 7pr3
Iron binding site 4 out of 4 in the Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cocrystal Form I of A Cytochrome C, Sulfonato-Thiacalix[4]Arene - Zinc Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe603

b:34.0
occ:1.00
FE D:HEC603 0.0 34.0 1.0
NB D:HEC603 2.0 34.4 1.0
NC D:HEC603 2.0 34.4 1.0
NA D:HEC603 2.1 33.7 1.0
ND D:HEC603 2.1 35.2 1.0
NE2 D:HIS18 2.2 33.9 1.0
SD D:MET80 2.5 33.2 1.0
C1B D:HEC603 3.0 34.0 1.0
C4B D:HEC603 3.0 35.3 1.0
C1C D:HEC603 3.0 36.0 1.0
CD2 D:HIS18 3.1 34.1 1.0
C4C D:HEC603 3.1 35.1 1.0
C4A D:HEC603 3.1 33.5 1.0
C1A D:HEC603 3.1 34.4 1.0
C4D D:HEC603 3.1 34.9 1.0
C1D D:HEC603 3.1 35.4 1.0
CE1 D:HIS18 3.3 34.2 1.0
CHC D:HEC603 3.4 35.6 1.0
CHB D:HEC603 3.4 33.3 1.0
CHA D:HEC603 3.4 34.4 1.0
CE D:MET80 3.4 35.0 1.0
CHD D:HEC603 3.5 35.8 1.0
CG D:MET80 3.5 35.5 1.0
C2B D:HEC603 4.2 35.1 1.0
CG D:HIS18 4.2 33.8 1.0
C3B D:HEC603 4.3 35.2 1.0
C2C D:HEC603 4.3 36.9 1.0
C3C D:HEC603 4.3 35.6 1.0
CB D:MET80 4.3 36.0 1.0
ND1 D:HIS18 4.3 32.6 1.0
C3A D:HEC603 4.3 33.4 1.0
C2A D:HEC603 4.3 34.0 1.0
C3D D:HEC603 4.4 34.1 1.0
C2D D:HEC603 4.4 34.6 1.0
OH D:TYR67 4.6 33.9 1.0

Reference:

R.J.Flood, K.O.Ramberg, D.B.Mengel, F.Guagnini, P.B.Crowley. Protein Frameworks with Thiacalixarene and Zinc. Cryst.Growth Des. V. 22 3271 2022.
ISSN: ISSN 1528-7483
PubMed: 35529063
DOI: 10.1021/ACS.CGD.2C00108
Page generated: Thu Aug 7 02:58:24 2025

Last articles

Na in 1KCC
Na in 1KC6
Na in 1KA0
Na in 1K8Y
Na in 1K8Z
Na in 1K8X
Na in 1K7X
Na in 1K7E
Na in 1K8P
Na in 1K73
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy