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Iron in PDB 3qw0: Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks

Protein crystallography data

The structure of Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks, PDB code: 3qw0 was solved by E.N.Salgado, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.50 / 1.84
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.626, 76.399, 93.265, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.3

Other elements in 3qw0:

The structure of Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks (pdb code 3qw0). 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 the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks, PDB code: 3qw0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3qw0

Go back to Iron Binding Sites List in 3qw0
Iron binding site 1 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe150

b:11.9
occ:1.00
FE A:HEM150 0.0 11.9 1.0
NE2 A:HIS102 2.0 6.7 1.0
NA A:HEM150 2.0 12.0 1.0
ND A:HEM150 2.0 9.0 1.0
NB A:HEM150 2.0 8.2 1.0
NC A:HEM150 2.1 12.9 1.0
SD A:MET7 2.3 8.8 1.0
CE1 A:HIS102 2.9 9.4 1.0
C1A A:HEM150 3.0 10.8 1.0
C4D A:HEM150 3.0 10.3 1.0
CD2 A:HIS102 3.0 10.3 1.0
C4B A:HEM150 3.1 8.7 1.0
C4A A:HEM150 3.1 9.1 1.0
C1B A:HEM150 3.1 9.1 1.0
C1C A:HEM150 3.1 11.8 1.0
C1D A:HEM150 3.1 12.4 1.0
C4C A:HEM150 3.1 7.8 1.0
CE A:MET7 3.3 10.3 1.0
CHA A:HEM150 3.4 10.3 1.0
CG A:MET7 3.4 10.3 1.0
CHC A:HEM150 3.4 11.9 1.0
CHB A:HEM150 3.5 11.5 1.0
CHD A:HEM150 3.5 8.7 1.0
ND1 A:HIS102 4.0 9.8 1.0
CG A:HIS102 4.1 13.2 1.0
CB A:MET7 4.2 12.2 1.0
C2A A:HEM150 4.3 10.1 1.0
C3A A:HEM150 4.3 10.0 1.0
C2B A:HEM150 4.3 8.8 1.0
C3B A:HEM150 4.3 9.0 1.0
C3D A:HEM150 4.3 7.0 1.0
C2C A:HEM150 4.3 9.9 1.0
C2D A:HEM150 4.3 8.8 1.0
C3C A:HEM150 4.4 11.5 1.0
CA A:MET7 5.0 10.6 1.0

Iron binding site 2 out of 4 in 3qw0

Go back to Iron Binding Sites List in 3qw0
Iron binding site 2 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe150

b:13.6
occ:1.00
FE B:HEM150 0.0 13.6 1.0
NE2 B:HIS102 2.0 11.5 1.0
NB B:HEM150 2.0 11.1 1.0
ND B:HEM150 2.0 14.2 1.0
NA B:HEM150 2.0 11.2 1.0
NC B:HEM150 2.1 11.2 1.0
SD B:MET7 2.3 12.7 1.0
CE1 B:HIS102 2.9 8.3 1.0
CD2 B:HIS102 3.0 11.8 1.0
C4B B:HEM150 3.0 9.9 1.0
C4A B:HEM150 3.0 8.0 1.0
C4C B:HEM150 3.0 10.8 1.0
C1B B:HEM150 3.0 13.5 1.0
C1A B:HEM150 3.0 9.9 1.0
C4D B:HEM150 3.1 14.9 1.0
C1D B:HEM150 3.1 13.1 1.0
C1C B:HEM150 3.1 9.6 1.0
CE B:MET7 3.4 10.6 1.0
CG B:MET7 3.4 11.3 1.0
CHD B:HEM150 3.4 9.8 1.0
CHA B:HEM150 3.4 12.7 1.0
CHB B:HEM150 3.4 11.4 1.0
CHC B:HEM150 3.5 10.4 1.0
ND1 B:HIS102 4.1 11.5 1.0
CG B:HIS102 4.1 11.3 1.0
CB B:MET7 4.1 13.6 1.0
C3B B:HEM150 4.2 10.5 1.0
C3A B:HEM150 4.2 12.8 1.0
C2B B:HEM150 4.2 10.8 1.0
C2A B:HEM150 4.2 11.2 1.0
C3C B:HEM150 4.3 9.1 1.0
C3D B:HEM150 4.3 16.8 1.0
C2C B:HEM150 4.3 12.1 1.0
C2D B:HEM150 4.3 13.2 1.0
NH2 B:ARG106 4.7 14.7 1.0
CA B:MET7 5.0 12.9 1.0

Iron binding site 3 out of 4 in 3qw0

Go back to Iron Binding Sites List in 3qw0
Iron binding site 3 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe150

b:19.7
occ:1.00
FE C:HEM150 0.0 19.7 1.0
NE2 C:HIS102 2.0 16.2 1.0
NB C:HEM150 2.1 18.2 1.0
NA C:HEM150 2.1 21.6 1.0
NC C:HEM150 2.1 14.7 1.0
ND C:HEM150 2.1 19.8 1.0
SD C:MET7 2.3 20.4 1.0
CE1 C:HIS102 3.0 18.9 1.0
C1C C:HEM150 3.1 15.6 1.0
C4B C:HEM150 3.1 18.7 1.0
C4C C:HEM150 3.1 16.2 1.0
CD2 C:HIS102 3.1 18.0 1.0
C1A C:HEM150 3.1 24.1 1.0
C4D C:HEM150 3.1 21.8 1.0
C1B C:HEM150 3.1 21.0 1.0
C4A C:HEM150 3.1 23.6 1.0
C1D C:HEM150 3.1 19.0 1.0
CHC C:HEM150 3.4 17.1 1.0
CE C:MET7 3.4 21.2 1.0
CHA C:HEM150 3.4 20.0 1.0
CHD C:HEM150 3.4 15.4 1.0
CHB C:HEM150 3.5 19.5 1.0
CG C:MET7 3.5 21.2 1.0
ND1 C:HIS102 4.1 18.3 1.0
CB C:MET7 4.2 20.2 1.0
CG C:HIS102 4.2 18.2 1.0
C3C C:HEM150 4.3 13.7 1.0
C2C C:HEM150 4.3 12.2 1.0
C3B C:HEM150 4.3 19.4 1.0
C2B C:HEM150 4.3 19.8 1.0
C2A C:HEM150 4.3 27.1 1.0
C3D C:HEM150 4.3 21.3 1.0
C3A C:HEM150 4.3 25.0 1.0
C2D C:HEM150 4.4 17.5 1.0

Iron binding site 4 out of 4 in 3qw0

Go back to Iron Binding Sites List in 3qw0
Iron binding site 4 out of 4 in the Crystal Structure of the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks


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 the Zn-RIDC1 Complex Stabilized By Bmb Crosslinks within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe150

b:17.1
occ:1.00
FE D:HEM150 0.0 17.1 1.0
NB D:HEM150 2.0 13.5 1.0
NA D:HEM150 2.0 16.6 1.0
ND D:HEM150 2.0 14.8 1.0
NC D:HEM150 2.0 11.9 1.0
NE2 D:HIS102 2.1 10.4 1.0
SD D:MET7 2.3 14.7 1.0
C4B D:HEM150 2.9 14.1 1.0
C1A D:HEM150 3.0 17.2 1.0
CE1 D:HIS102 3.0 14.4 1.0
C1B D:HEM150 3.0 13.2 1.0
C1C D:HEM150 3.0 10.5 1.0
C4D D:HEM150 3.0 16.8 1.0
CD2 D:HIS102 3.1 14.6 1.0
C4A D:HEM150 3.1 14.9 1.0
C4C D:HEM150 3.1 13.6 1.0
C1D D:HEM150 3.1 14.3 1.0
CHC D:HEM150 3.3 11.8 1.0
CHA D:HEM150 3.4 15.3 1.0
CG D:MET7 3.4 18.6 1.0
CE D:MET7 3.4 13.6 1.0
CHB D:HEM150 3.5 11.5 1.0
CHD D:HEM150 3.5 9.7 1.0
ND1 D:HIS102 4.1 14.4 1.0
CB D:MET7 4.2 18.9 1.0
CG D:HIS102 4.2 19.9 1.0
C2B D:HEM150 4.2 14.2 1.0
C3B D:HEM150 4.2 10.7 1.0
C2A D:HEM150 4.2 18.0 1.0
C3A D:HEM150 4.2 17.8 1.0
C2C D:HEM150 4.3 13.1 1.0
C3D D:HEM150 4.3 18.7 1.0
C3C D:HEM150 4.3 14.2 1.0
C2D D:HEM150 4.3 17.8 1.0
CA D:MET7 5.0 18.0 1.0

Reference:

E.N.Salgado, J.D.Brodin, M.M.To, F.A.Tezcan. Templated Construction of A Zn-Selective Protein Dimerization Motif. Inorg.Chem. V. 50 6323 2011.
ISSN: ISSN 0020-1669
PubMed: 21648390
DOI: 10.1021/IC200746M
Page generated: Sun Aug 4 18:55:55 2024

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