Atomistry » Iron » PDB 1aoq-1b2j » 1aqe
Atomistry »
  Iron »
    PDB 1aoq-1b2j »
      1aqe »

Iron in PDB 1aqe: Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd

Protein crystallography data

The structure of Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd, PDB code: 1aqe was solved by M.Czjzek, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.00 / 2.20
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 72.620, 72.620, 60.322, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 23.9

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd (pdb code 1aqe). 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 Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd, PDB code: 1aqe:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1aqe

Go back to Iron Binding Sites List in 1aqe
Iron binding site 1 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


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 Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe119

b:12.6
occ:1.00
FE A:HEM119 0.0 12.6 1.0
NC A:HEM119 1.9 9.3 1.0
ND A:HEM119 1.9 10.8 1.0
NB A:HEM119 2.0 11.8 1.0
NA A:HEM119 2.0 13.1 1.0
NE2 A:HIS30 2.0 10.6 1.0
NE2 A:HIS42 2.0 7.8 1.0
CE1 A:HIS30 2.9 10.4 1.0
CE1 A:HIS42 2.9 7.9 1.0
C1C A:HEM119 3.0 10.3 1.0
C1D A:HEM119 3.0 11.3 1.0
C4C A:HEM119 3.0 10.0 1.0
C4B A:HEM119 3.0 12.5 1.0
C4D A:HEM119 3.0 10.5 1.0
C4A A:HEM119 3.0 12.6 1.0
C1A A:HEM119 3.0 13.6 1.0
C1B A:HEM119 3.0 12.5 1.0
CD2 A:HIS30 3.1 9.1 1.0
CD2 A:HIS42 3.1 8.4 1.0
CHC A:HEM119 3.4 9.6 1.0
CHD A:HEM119 3.4 9.7 1.0
CHA A:HEM119 3.4 12.0 1.0
CHB A:HEM119 3.4 12.1 1.0
ND1 A:HIS30 4.1 10.5 1.0
ND1 A:HIS42 4.1 8.7 1.0
CG A:HIS30 4.2 10.1 1.0
CG A:HIS42 4.2 9.6 1.0
C2C A:HEM119 4.2 10.0 1.0
C2D A:HEM119 4.2 10.5 1.0
C3C A:HEM119 4.2 10.6 1.0
C3D A:HEM119 4.2 9.0 1.0
C3B A:HEM119 4.2 12.5 1.0
C3A A:HEM119 4.3 13.4 1.0
C2B A:HEM119 4.3 12.0 1.0
C2A A:HEM119 4.3 13.2 1.0
HHD A:HEM119 4.3 0.0 1.0
HHC A:HEM119 4.4 0.0 1.0
HHA A:HEM119 4.4 0.0 1.0
HHB A:HEM119 4.5 0.0 1.0
CE2 A:PHE28 4.7 8.7 1.0
HD1 A:HIS30 5.0 0.0 1.0
HD1 A:HIS42 5.0 0.0 1.0

Iron binding site 2 out of 4 in 1aqe

Go back to Iron Binding Sites List in 1aqe
Iron binding site 2 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


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 Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe120

b:16.4
occ:1.00
FE A:HEM120 0.0 16.4 1.0
NA A:HEM120 1.9 15.2 1.0
NB A:HEM120 1.9 14.5 1.0
ND A:HEM120 2.0 17.9 1.0
NC A:HEM120 2.0 15.4 1.0
NE2 A:HIS60 2.0 14.8 1.0
NE2 A:HIS43 2.0 15.0 1.0
CE1 A:HIS43 2.8 15.6 1.0
CE1 A:HIS60 2.9 15.7 1.0
C1A A:HEM120 3.0 15.7 1.0
C4B A:HEM120 3.0 14.7 1.0
C4A A:HEM120 3.0 14.0 1.0
C1C A:HEM120 3.0 12.9 1.0
C4D A:HEM120 3.0 18.9 1.0
C1B A:HEM120 3.0 14.0 1.0
C1D A:HEM120 3.0 17.6 1.0
C4C A:HEM120 3.0 15.9 1.0
CD2 A:HIS60 3.1 14.7 1.0
CD2 A:HIS43 3.2 13.7 1.0
CHA A:HEM120 3.4 16.4 1.0
CHC A:HEM120 3.4 13.4 1.0
CHB A:HEM120 3.4 14.9 1.0
CHD A:HEM120 3.4 15.2 1.0
ND1 A:HIS43 4.0 14.0 1.0
ND1 A:HIS60 4.1 15.7 1.0
CG A:HIS60 4.2 15.6 1.0
C3A A:HEM120 4.2 13.9 1.0
C2A A:HEM120 4.2 14.9 1.0
C3B A:HEM120 4.2 13.5 1.0
C3D A:HEM120 4.2 20.4 1.0
C2D A:HEM120 4.2 19.0 1.0
CG A:HIS43 4.2 12.9 1.0
C2C A:HEM120 4.2 14.6 1.0
C2B A:HEM120 4.2 13.1 1.0
C3C A:HEM120 4.3 15.5 1.0
HHC A:HEM120 4.4 0.0 1.0
HHA A:HEM120 4.5 0.0 1.0
HHB A:HEM120 4.5 0.0 1.0
HHD A:HEM120 4.5 0.0 1.0
HD1 A:HIS43 4.9 0.0 1.0
CG2 A:THR44 5.0 13.0 1.0
HD1 A:HIS60 5.0 0.0 1.0

Iron binding site 3 out of 4 in 1aqe

Go back to Iron Binding Sites List in 1aqe
Iron binding site 3 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


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 Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe121

b:14.0
occ:1.00
FE A:HEM121 0.0 14.0 1.0
ND A:HEM121 1.9 12.6 1.0
NB A:HEM121 2.0 9.6 1.0
NE2 A:HIS33 2.0 10.2 1.0
NA A:HEM121 2.0 12.7 1.0
NC A:HEM121 2.0 11.4 1.0
NE2 A:HIS90 2.0 13.6 1.0
CE1 A:HIS90 2.9 13.2 1.0
CD2 A:HIS33 3.0 10.1 1.0
C4D A:HEM121 3.0 13.3 1.0
C1D A:HEM121 3.0 13.8 1.0
CE1 A:HIS33 3.0 11.1 1.0
C4B A:HEM121 3.0 9.5 1.0
C4C A:HEM121 3.0 12.2 1.0
C1A A:HEM121 3.0 11.5 1.0
C1C A:HEM121 3.0 9.6 1.0
C1B A:HEM121 3.0 10.3 1.0
C4A A:HEM121 3.0 11.7 1.0
CD2 A:HIS90 3.2 13.3 1.0
CHD A:HEM121 3.4 10.8 1.0
CHA A:HEM121 3.4 11.8 1.0
CHC A:HEM121 3.4 8.0 1.0
CHB A:HEM121 3.4 10.9 1.0
ND1 A:HIS33 4.1 10.1 1.0
CG A:HIS33 4.1 12.4 1.0
ND1 A:HIS90 4.1 11.7 1.0
C3D A:HEM121 4.2 16.1 1.0
C2D A:HEM121 4.2 14.0 1.0
C3C A:HEM121 4.2 12.7 1.0
C3B A:HEM121 4.2 11.0 1.0
C2A A:HEM121 4.3 12.5 1.0
C2C A:HEM121 4.3 11.6 1.0
C2B A:HEM121 4.3 8.8 1.0
C3A A:HEM121 4.3 11.5 1.0
CG A:HIS90 4.3 13.0 1.0
HHA A:HEM121 4.3 0.0 1.0
HHD A:HEM121 4.5 0.0 1.0
HHC A:HEM121 4.5 0.0 1.0
HHB A:HEM121 4.5 0.0 1.0
HD1 A:HIS90 5.0 0.0 1.0
HD1 A:HIS33 5.0 0.0 1.0

Iron binding site 4 out of 4 in 1aqe

Go back to Iron Binding Sites List in 1aqe
Iron binding site 4 out of 4 in the Crystal Structure of the Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd


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 Y73E Mutant of Cytochrome C of Class III (Ambler) 26 Kd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe122

b:15.2
occ:1.00
FE A:HEM122 0.0 15.2 1.0
NA A:HEM122 1.9 15.4 1.0
NE2 A:HIS77 1.9 15.0 1.0
NC A:HEM122 2.0 13.5 1.0
NB A:HEM122 2.0 15.1 1.0
NE2 A:HIS109 2.0 15.9 1.0
ND A:HEM122 2.0 14.7 1.0
CE1 A:HIS77 2.8 15.3 1.0
CE1 A:HIS109 2.9 18.7 1.0
C1B A:HEM122 3.0 15.5 1.0
C4A A:HEM122 3.0 17.4 1.0
C1C A:HEM122 3.0 13.7 1.0
C4C A:HEM122 3.0 14.9 1.0
C4B A:HEM122 3.0 12.5 1.0
C1A A:HEM122 3.0 16.7 1.0
C4D A:HEM122 3.0 14.5 1.0
C1D A:HEM122 3.0 14.2 1.0
CD2 A:HIS109 3.1 16.6 1.0
CD2 A:HIS77 3.1 13.9 1.0
CHB A:HEM122 3.4 17.1 1.0
CHC A:HEM122 3.4 13.6 1.0
CHA A:HEM122 3.4 16.0 1.0
CHD A:HEM122 3.4 13.7 1.0
ND1 A:HIS77 4.0 13.6 1.0
ND1 A:HIS109 4.0 18.4 1.0
H2 A:HOH300 4.1 0.0 1.0
CG A:HIS77 4.2 12.8 1.0
CG A:HIS109 4.2 18.2 1.0
C2B A:HEM122 4.2 15.8 1.0
C3A A:HEM122 4.2 16.6 1.0
C2C A:HEM122 4.2 13.1 1.0
C3C A:HEM122 4.2 14.9 1.0
C2A A:HEM122 4.3 16.8 1.0
C3B A:HEM122 4.3 15.9 1.0
C3D A:HEM122 4.3 14.6 1.0
C2D A:HEM122 4.3 12.9 1.0
HHC A:HEM122 4.4 0.0 1.0
HHB A:HEM122 4.4 0.0 1.0
HHA A:HEM122 4.5 0.0 1.0
HHD A:HEM122 4.5 0.0 1.0
HD1 A:HIS77 4.8 0.0 1.0
HD1 A:HIS109 4.9 0.0 1.0

Reference:

C.Aubert, M.T.Giudici-Orticoni, M.Czjzek, R.Haser, M.Bruschi, A.Dolla. Structural and Kinetic Studies of the Y73E Mutant of Octaheme Cytochrome C3 (Mr = 26 000) From Desulfovibrio Desulfuricans Norway. Biochemistry V. 37 2120 1998.
ISSN: ISSN 0006-2960
PubMed: 9485359
DOI: 10.1021/BI971656G
Page generated: Sun Dec 13 14:05:56 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