Iron in PDB 5xa4: Crystal Structure of Hasap with Fe-5,15-Diazaporphyrin

Protein crystallography data

The structure of Crystal Structure of Hasap with Fe-5,15-Diazaporphyrin, PDB code: 5xa4 was solved by O.Shoji, H.Uehara, H.Sugimoto, Y.Shiro, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.05 / 1.30
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 154.002, 154.002, 36.626, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 18.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Hasap with Fe-5,15-Diazaporphyrin (pdb code 5xa4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Hasap with Fe-5,15-Diazaporphyrin, PDB code: 5xa4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5xa4

Go back to Iron Binding Sites List in 5xa4
Iron binding site 1 out of 2 in the Crystal Structure of Hasap with Fe-5,15-Diazaporphyrin


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 Hasap with Fe-5,15-Diazaporphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:9.6
occ:1.00
FE A:83L201 0.0 9.6 1.0
N3 A:83L201 2.0 10.4 1.0
N1 A:83L201 2.0 10.1 1.0
OH A:TYR75 2.0 9.8 1.0
N4 A:83L201 2.0 9.7 1.0
NE2 A:HIS32 2.0 9.5 1.0
N2 A:83L201 2.0 10.1 1.0
CZ A:TYR75 2.9 9.2 1.0
C9 A:83L201 2.9 10.4 1.0
C4 A:83L201 3.0 10.3 1.0
C16 A:83L201 3.0 10.1 1.0
C5 A:83L201 3.0 10.6 1.0
C12 A:83L201 3.0 10.1 1.0
C1 A:83L201 3.0 10.1 1.0
CE1 A:HIS32 3.0 9.8 1.0
CD2 A:HIS32 3.0 9.5 1.0
C13 A:83L201 3.1 9.6 1.0
C8 A:83L201 3.1 10.2 1.0
N5 A:83L201 3.3 10.4 1.0
N6 A:83L201 3.4 10.5 1.0
C20 A:83L201 3.5 10.3 1.0
C18 A:83L201 3.5 10.1 1.0
CE1 A:TYR75 3.6 9.3 1.0
CE2 A:TYR75 3.7 9.1 1.0
ND1 A:HIS83 4.0 11.5 1.0
ND1 A:HIS32 4.1 9.3 1.0
CG A:HIS32 4.2 9.5 1.0
C10 A:83L201 4.2 10.6 1.0
C11 A:83L201 4.2 10.6 1.0
C2 A:83L201 4.2 10.4 1.0
C3 A:83L201 4.2 10.2 1.0
C14 A:83L201 4.2 10.1 1.0
C15 A:83L201 4.2 10.2 1.0
C6 A:83L201 4.2 10.6 1.0
C7 A:83L201 4.2 10.8 1.0
CG A:HIS83 4.7 10.9 1.0
CB A:HIS83 4.7 10.1 1.0
CD1 A:TYR75 4.8 9.1 1.0
CE1 A:HIS83 4.8 12.3 1.0
CD2 A:TYR75 4.8 9.2 1.0
C21 A:83L201 5.0 10.0 0.7
C22 A:83L201 5.0 10.7 1.0
C21 A:83L201 5.0 10.0 0.3

Iron binding site 2 out of 2 in 5xa4

Go back to Iron Binding Sites List in 5xa4
Iron binding site 2 out of 2 in the Crystal Structure of Hasap with Fe-5,15-Diazaporphyrin


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 Hasap with Fe-5,15-Diazaporphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:18.2
occ:1.00
FE B:83L201 0.0 18.2 1.0
N1 B:83L201 2.0 18.3 1.0
N3 B:83L201 2.0 18.5 1.0
OH B:TYR75 2.1 16.8 1.0
NE2 B:HIS32 2.1 18.0 1.0
N4 B:83L201 2.1 18.4 1.0
N2 B:83L201 2.2 20.2 1.0
CZ B:TYR75 2.9 15.2 1.0
C1 B:83L201 3.0 18.6 1.0
C4 B:83L201 3.0 18.7 1.0
CD2 B:HIS32 3.0 18.4 1.0
C9 B:83L201 3.0 18.4 1.0
C16 B:83L201 3.0 18.5 1.0
C13 B:83L201 3.1 18.9 1.0
C12 B:83L201 3.1 19.3 1.0
CE1 B:HIS32 3.1 18.3 1.0
C5 B:83L201 3.1 19.5 1.0
C8 B:83L201 3.2 19.6 1.0
N5 B:83L201 3.4 18.8 1.0
N6 B:83L201 3.4 18.7 1.0
C20 B:83L201 3.4 18.9 1.0
C18 B:83L201 3.6 20.1 1.0
CE1 B:TYR75 3.6 15.1 1.0
CE2 B:TYR75 3.7 14.9 1.0
ND1 B:HIS83 3.9 15.0 1.0
C2 B:83L201 4.2 18.6 1.0
CG B:HIS32 4.2 19.1 1.0
C3 B:83L201 4.2 18.8 1.0
ND1 B:HIS32 4.2 18.3 1.0
C10 B:83L201 4.2 19.3 1.0
C14 B:83L201 4.2 19.3 1.0
C15 B:83L201 4.2 19.5 1.0
C11 B:83L201 4.3 19.2 1.0
C6 B:83L201 4.3 19.8 1.0
C7 B:83L201 4.4 20.0 1.0
CE1 B:HIS83 4.7 15.1 1.0
CG B:HIS83 4.7 14.1 1.0
CD1 B:TYR75 4.8 14.5 1.0
CB B:HIS83 4.8 13.8 1.0
CD2 B:TYR75 4.8 14.7 1.0
CG2 B:VAL37 4.9 27.7 1.0
C22 B:83L201 4.9 19.6 1.0

Reference:

H.Uehara, Y.Shisaka, T.Nishimura, H.Sugimoto, Y.Shiro, Y.Miyake, H.Shinokubo, Y.Watanabe, O.Shoji. Structures of the Heme Acquisition Protein Hasa with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof As An Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl. V. 56 15279 2017.
ISSN: ESSN 1521-3773
PubMed: 28921809
DOI: 10.1002/ANIE.201707212
Page generated: Sun Dec 13 16:17:02 2020

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