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Iron in PDB 3qzl: Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme

Protein crystallography data

The structure of Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme, PDB code: 3qzl was solved by J.C.Grigg, C.X.Mao, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 51.670, 76.599, 35.640, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 18.5

Iron Binding Sites:

The binding sites of Iron atom in the Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme (pdb code 3qzl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme, PDB code: 3qzl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3qzl

Go back to Iron Binding Sites List in 3qzl
Iron binding site 1 out of 2 in the Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:16.2
occ:0.50
FE A:HEM200 0.0 16.2 0.5
FE A:HEM200 0.2 19.2 0.5
NC A:HEM200 1.8 18.4 0.5
NB A:HEM200 2.0 14.2 0.5
NC A:HEM200 2.0 19.1 0.5
OH A:TYR166 2.1 18.0 1.0
ND A:HEM200 2.1 20.2 0.5
NA A:HEM200 2.1 11.6 0.5
NB A:HEM200 2.1 12.3 0.5
ND A:HEM200 2.2 18.6 0.5
NA A:HEM200 2.2 14.3 0.5
C1C A:HEM200 2.9 16.4 0.5
C4C A:HEM200 2.9 17.7 0.5
C4B A:HEM200 3.0 14.9 0.5
C4D A:HEM200 3.0 19.4 0.5
C1D A:HEM200 3.1 21.9 0.5
C1C A:HEM200 3.1 17.9 0.5
CZ A:TYR166 3.1 15.2 1.0
C4C A:HEM200 3.1 20.9 0.5
C1B A:HEM200 3.1 14.5 0.5
C1A A:HEM200 3.1 12.2 0.5
C4A A:HEM200 3.1 11.4 0.5
C1D A:HEM200 3.1 18.2 0.5
C4B A:HEM200 3.1 13.4 0.5
C4A A:HEM200 3.2 16.0 0.5
C1B A:HEM200 3.2 10.9 0.5
C1A A:HEM200 3.2 17.4 0.5
C4D A:HEM200 3.2 18.4 0.5
CHC A:HEM200 3.3 16.1 0.5
CHD A:HEM200 3.4 16.3 0.5
CHD A:HEM200 3.4 22.1 0.5
CHA A:HEM200 3.4 15.5 0.5
CHC A:HEM200 3.4 16.8 0.5
CHB A:HEM200 3.5 15.2 0.5
CHB A:HEM200 3.5 9.5 0.5
CHA A:HEM200 3.6 18.2 0.5
CE2 A:TYR166 3.6 16.6 1.0
OH A:TYR170 3.9 18.5 1.0
CE1 A:TYR166 4.1 16.5 1.0
C2C A:HEM200 4.1 16.8 0.5
C3C A:HEM200 4.1 18.1 0.5
C3B A:HEM200 4.2 16.1 0.5
C2B A:HEM200 4.2 17.2 0.5
C2D A:HEM200 4.3 21.9 0.5
C3D A:HEM200 4.3 22.1 0.5
CB A:HIS83 4.3 13.5 1.0
C3C A:HEM200 4.3 20.1 0.5
C2C A:HEM200 4.3 18.4 0.5
C3A A:HEM200 4.3 10.8 0.5
C2A A:HEM200 4.3 11.7 0.5
C3B A:HEM200 4.3 14.5 0.5
C2D A:HEM200 4.4 18.8 0.5
C3A A:HEM200 4.4 16.9 0.5
C2B A:HEM200 4.4 11.9 0.5
CE2 A:TYR170 4.4 14.8 1.0
C2A A:HEM200 4.4 17.1 0.5
CG A:HIS83 4.5 14.9 1.0
C3D A:HEM200 4.5 19.2 0.5
CZ A:TYR170 4.5 15.9 1.0
CD2 A:HIS83 4.7 17.7 1.0
CD2 A:TYR166 4.9 15.7 1.0

Iron binding site 2 out of 2 in 3qzl

Go back to Iron Binding Sites List in 3qzl
Iron binding site 2 out of 2 in the Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Staphylococcus Aureus Isda Neat Domain K75A Variant in Complex with Heme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:19.2
occ:0.50
FE A:HEM200 0.0 19.2 0.5
FE A:HEM200 0.2 16.2 0.5
ND A:HEM200 1.9 20.2 0.5
NC A:HEM200 2.0 18.4 0.5
NA A:HEM200 2.0 11.6 0.5
NA A:HEM200 2.0 14.3 0.5
NB A:HEM200 2.1 14.2 0.5
ND A:HEM200 2.1 18.6 0.5
NC A:HEM200 2.2 19.1 0.5
OH A:TYR166 2.2 18.0 1.0
NB A:HEM200 2.3 12.3 0.5
C4D A:HEM200 2.9 19.4 0.5
C1D A:HEM200 3.0 21.9 0.5
C1A A:HEM200 3.0 12.2 0.5
C4C A:HEM200 3.0 17.7 0.5
C1C A:HEM200 3.0 16.4 0.5
C4A A:HEM200 3.1 16.0 0.5
C1A A:HEM200 3.1 17.4 0.5
C4A A:HEM200 3.1 11.4 0.5
C1B A:HEM200 3.1 14.5 0.5
C4B A:HEM200 3.1 14.9 0.5
C1D A:HEM200 3.1 18.2 0.5
C4D A:HEM200 3.1 18.4 0.5
C4C A:HEM200 3.1 20.9 0.5
C1C A:HEM200 3.2 17.9 0.5
CZ A:TYR166 3.2 15.2 1.0
C1B A:HEM200 3.3 10.9 0.5
CHA A:HEM200 3.3 15.5 0.5
C4B A:HEM200 3.3 13.4 0.5
CHD A:HEM200 3.4 22.1 0.5
CHD A:HEM200 3.4 16.3 0.5
CHB A:HEM200 3.4 15.2 0.5
CHC A:HEM200 3.4 16.1 0.5
CHA A:HEM200 3.5 18.2 0.5
CHB A:HEM200 3.5 9.5 0.5
CHC A:HEM200 3.6 16.8 0.5
CE2 A:TYR166 3.7 16.6 1.0
OH A:TYR170 4.0 18.5 1.0
C3D A:HEM200 4.1 22.1 0.5
C2D A:HEM200 4.1 21.9 0.5
CB A:HIS83 4.1 13.5 1.0
C2A A:HEM200 4.2 11.7 0.5
C3C A:HEM200 4.2 18.1 0.5
C2C A:HEM200 4.2 16.8 0.5
C3A A:HEM200 4.2 10.8 0.5
CE1 A:TYR166 4.2 16.5 1.0
C3A A:HEM200 4.3 16.9 0.5
C2A A:HEM200 4.3 17.1 0.5
C2B A:HEM200 4.3 17.2 0.5
C3B A:HEM200 4.3 16.1 0.5
CG A:HIS83 4.3 14.9 1.0
C2D A:HEM200 4.3 18.8 0.5
C3D A:HEM200 4.3 19.2 0.5
C3C A:HEM200 4.4 20.1 0.5
C2C A:HEM200 4.4 18.4 0.5
CE2 A:TYR170 4.5 14.8 1.0
CD2 A:HIS83 4.5 17.7 1.0
CZ A:TYR170 4.5 15.9 1.0
C3B A:HEM200 4.5 14.5 0.5
C2B A:HEM200 4.5 11.9 0.5
ND1 A:HIS83 5.0 17.1 1.0

Reference:

J.C.Grigg, C.X.Mao, M.E.Murphy. Iron-Coordinating Tyrosine Is A Key Determinant of Neat Domain Heme Transfer. J.Mol.Biol. V. 413 684 2011.
ISSN: ISSN 0022-2836
PubMed: 21893067
DOI: 10.1016/J.JMB.2011.08.047
Page generated: Sun Dec 13 15:19:33 2020

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