Atomistry » Iron » PDB 1ch3-1cp2 » 1cku
Atomistry »
  Iron »
    PDB 1ch3-1cp2 »
      1cku »

Iron in PDB 1cku: Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution

Protein crystallography data

The structure of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution, PDB code: 1cku was solved by E.Parisini, F.Capozzi, P.Lubini, V.Lamzin, C.Luchinat, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 35.067, 51.389, 92.390, 90.00, 90.00, 90.00
R / Rfree (%) 13.2 / 17.8

Iron Binding Sites:

The binding sites of Iron atom in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution (pdb code 1cku). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution, PDB code: 1cku:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 1 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe87

b:5.0
occ:1.00
 FE1 A:SF487 0.0 5.0 1.0
S2 A:SF487 2.2 4.7 1.0
SG A:CYS43 2.3 5.4 1.0
S4 A:SF487 2.3 5.1 1.0
S3 A:SF487 2.3 4.8 1.0
FE3 A:SF487 2.7 4.8 1.0
FE4 A:SF487 2.7 4.9 1.0
FE2 A:SF487 2.7 5.0 1.0
CB A:CYS43 3.2 4.7 1.0
CA A:CYS43 3.6 4.3 1.0
S1 A:SF487 3.9 5.3 1.0
N A:CYS43 4.3 4.3 1.0
CG1 A:ILE71 4.5 6.0 1.0
N A:CYS77 4.6 4.9 1.0
CA A:TRP76 4.6 5.2 1.0
C A:TRP76 4.7 5.1 1.0
CD1 A:ILE71 4.7 6.9 1.0
CB A:CYS46 4.8 4.8 1.0
SG A:CYS46 4.8 5.0 1.0
N A:TRP76 4.8 5.2 1.0
CE1 A:TYR19 4.8 5.6 1.0
SG A:CYS63 4.8 5.4 1.0
SG A:CYS77 4.9 5.0 1.0
C A:CYS43 4.9 4.7 1.0
CB A:ILE71 4.9 5.3 1.0
C A:GLY75 4.9 4.6 1.0
CD1 A:TYR19 4.9 5.3 1.0
O A:GLY75 4.9 5.6 1.0

Iron binding site 2 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 2 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe87

b:5.0
occ:1.00
 FE2 A:SF487 0.0 5.0 1.0
S1 A:SF487 2.2 5.3 1.0
S4 A:SF487 2.3 5.1 1.0
S3 A:SF487 2.3 4.8 1.0
SG A:CYS46 2.3 5.0 1.0
FE3 A:SF487 2.7 4.8 1.0
FE4 A:SF487 2.7 4.9 1.0
FE1 A:SF487 2.7 5.0 1.0
CB A:CYS46 3.1 4.8 1.0
S2 A:SF487 3.9 4.7 1.0
CB A:PHE48 4.1 4.8 1.0
CD2 A:PHE48 4.3 6.3 1.0
CA A:TRP80 4.4 4.3 1.0
CD1 A:TRP80 4.6 4.6 1.0
CA A:CYS46 4.6 4.8 1.0
SG A:CYS63 4.6 5.4 1.0
CA A:CYS43 4.7 4.3 1.0
CG A:PHE48 4.7 5.2 1.0
N A:PHE48 4.7 4.6 1.0
SG A:CYS77 4.7 5.0 1.0
SG A:CYS43 4.8 5.4 1.0
N A:TRP80 4.8 5.3 1.0
CA A:PHE48 4.9 4.3 1.0
N A:MET49 4.9 4.8 1.0
CB A:TRP80 4.9 5.3 1.0
CB A:CYS43 5.0 4.7 1.0

Iron binding site 3 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 3 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe87

b:4.8
occ:1.00
 FE3 A:SF487 0.0 4.8 1.0
S4 A:SF487 2.2 5.1 1.0
SG A:CYS63 2.3 5.4 1.0
S1 A:SF487 2.3 5.3 1.0
S2 A:SF487 2.3 4.7 1.0
FE2 A:SF487 2.7 5.0 1.0
FE1 A:SF487 2.7 5.0 1.0
FE4 A:SF487 2.8 4.9 1.0
CB A:CYS63 3.3 5.4 1.0
S3 A:SF487 3.9 4.8 1.0
CB A:PHE48 4.2 4.8 1.0
CA A:CYS63 4.5 5.3 1.0
SG A:CYS77 4.6 5.0 1.0
CG1 A:ILE71 4.6 6.0 1.0
SG A:CYS43 4.7 5.4 1.0
CD1 A:PHE66 4.7 6.0 1.0
CE1 A:PHE66 4.7 7.0 1.0
SG A:CYS46 4.7 5.0 1.0
CG2 A:ILE71 4.9 7.9 1.0
C A:PHE48 5.0 4.8 1.0
CB A:LEU65 5.0 5.7 1.0

Iron binding site 4 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 4 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe87

b:4.9
occ:1.00
 FE4 A:SF487 0.0 4.9 1.0
SG A:CYS77 2.3 5.0 1.0
S3 A:SF487 2.3 4.8 1.0
S1 A:SF487 2.3 5.3 1.0
S2 A:SF487 2.3 4.7 1.0
FE1 A:SF487 2.7 5.0 1.0
FE2 A:SF487 2.7 5.0 1.0
FE3 A:SF487 2.8 4.8 1.0
CB A:CYS77 3.2 5.2 1.0
N A:CYS77 3.6 4.9 1.0
CA A:CYS77 3.9 4.5 1.0
S4 A:SF487 3.9 5.1 1.0
O A:CYS77 4.3 4.5 1.0
C A:CYS77 4.3 4.3 1.0
C A:TRP76 4.4 5.1 1.0
N A:TRP80 4.6 5.3 1.0
SG A:CYS63 4.7 5.4 1.0
SG A:CYS43 4.8 5.4 1.0
CB A:SER79 4.8 6.5 1.0
SG A:CYS46 4.8 5.0 1.0
CA A:TRP80 4.9 4.3 1.0
C A:SER79 4.9 5.3 1.0
N A:SER79 4.9 5.1 1.0

Iron binding site 5 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 5 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe87

b:4.6
occ:1.00
 FE1 B:SF487 0.0 4.6 1.0
S2 B:SF487 2.2 4.7 1.0
SG B:CYS43 2.3 5.0 1.0
S4 B:SF487 2.3 4.6 1.0
S3 B:SF487 2.3 5.1 1.0
FE4 B:SF487 2.7 4.9 1.0
FE3 B:SF487 2.7 4.7 1.0
FE2 B:SF487 2.7 4.8 1.0
CB B:CYS43 3.2 4.0 1.0
CA B:CYS43 3.6 4.7 1.0
S1 B:SF487 3.9 4.8 1.0
N B:CYS43 4.3 5.0 1.0
CG1 B:ILE71 4.4 4.7 1.0
N B:CYS77 4.5 4.5 1.0
CA B:TRP76 4.6 4.6 1.0
CD1 B:ILE71 4.7 5.5 1.0
C B:TRP76 4.7 4.7 1.0
N B:TRP76 4.7 4.6 1.0
SG B:CYS46 4.8 4.8 1.0
CB B:CYS46 4.8 5.3 1.0
SG B:CYS77 4.8 5.0 1.0
C B:CYS43 4.9 5.0 1.0
SG B:CYS63 4.9 5.7 1.0
CB B:ILE71 4.9 4.8 1.0
CE1 B:TYR19 4.9 5.6 1.0
C B:GLY75 4.9 4.8 1.0

Iron binding site 6 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 6 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe87

b:4.8
occ:1.00
 FE2 B:SF487 0.0 4.8 1.0
S1 B:SF487 2.2 4.8 1.0
SG B:CYS46 2.3 4.8 1.0
S3 B:SF487 2.3 5.1 1.0
S4 B:SF487 2.3 4.6 1.0
FE4 B:SF487 2.7 4.9 1.0
FE3 B:SF487 2.7 4.7 1.0
FE1 B:SF487 2.7 4.6 1.0
CB B:CYS46 3.1 5.3 1.0
S2 B:SF487 3.9 4.7 1.0
CB B:PHE48 4.2 5.4 1.0
CA B:TRP80 4.3 4.9 1.0
CD2 B:PHE48 4.5 6.4 1.0
CA B:CYS46 4.6 5.1 1.0
CA B:CYS43 4.6 4.7 1.0
N B:TRP80 4.7 5.2 1.0
CD1 B:TRP80 4.7 4.7 1.0
N B:PHE48 4.7 4.8 1.0
SG B:CYS63 4.7 5.7 1.0
SG B:CYS77 4.7 5.0 1.0
SG B:CYS43 4.8 5.0 1.0
N B:MET49 4.8 5.0 1.0
CA B:PHE48 4.8 4.9 1.0
O B:SER79 4.9 6.5 1.0
CG B:PHE48 4.9 5.8 1.0
C B:SER79 4.9 5.0 1.0
CB B:CYS43 4.9 4.0 1.0
CB B:TRP80 5.0 5.5 1.0
C B:PHE48 5.0 4.5 1.0

Iron binding site 7 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 7 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe87

b:4.7
occ:1.00
 FE3 B:SF487 0.0 4.7 1.0
S4 B:SF487 2.3 4.6 1.0
SG B:CYS63 2.3 5.7 1.0
S2 B:SF487 2.3 4.7 1.0
S1 B:SF487 2.3 4.8 1.0
FE1 B:SF487 2.7 4.6 1.0
FE2 B:SF487 2.7 4.8 1.0
FE4 B:SF487 2.7 4.9 1.0
CB B:CYS63 3.3 4.9 1.0
S3 B:SF487 3.9 5.1 1.0
CB B:PHE48 4.3 5.4 1.0
CA B:CYS63 4.5 4.7 1.0
SG B:CYS77 4.6 5.0 1.0
CG1 B:ILE71 4.6 4.7 1.0
CD2 B:PHE66 4.7 5.8 1.0
SG B:CYS43 4.7 5.0 1.0
SG B:CYS46 4.8 4.8 1.0
CE2 B:PHE66 4.8 7.9 1.0
C B:PHE48 4.8 4.5 1.0
O B:PHE48 4.9 5.5 1.0
CD1 B:LEU65 5.0 6.6 1.0
N B:MET49 5.0 5.0 1.0
CG2 B:ILE71 5.0 6.3 1.0
CG B:LEU65 5.0 6.8 1.0

Iron binding site 8 out of 8 in 1cku

Go back to Iron Binding Sites List in 1cku
Iron binding site 8 out of 8 in the Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Ab Initio Solution and Refinement of Two High Potential Iron Protein Structures at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe87

b:4.9
occ:1.00
 FE4 B:SF487 0.0 4.9 1.0
SG B:CYS77 2.3 5.0 1.0
S3 B:SF487 2.3 5.1 1.0
S1 B:SF487 2.3 4.8 1.0
S2 B:SF487 2.3 4.7 1.0
FE2 B:SF487 2.7 4.8 1.0
FE1 B:SF487 2.7 4.6 1.0
FE3 B:SF487 2.7 4.7 1.0
CB B:CYS77 3.3 4.3 1.0
N B:CYS77 3.6 4.5 1.0
CA B:CYS77 3.9 4.5 1.0
S4 B:SF487 3.9 4.6 1.0
C B:CYS77 4.3 4.2 1.0
O B:CYS77 4.3 4.7 1.0
N B:TRP80 4.4 5.2 1.0
C B:TRP76 4.4 4.7 1.0
C B:SER79 4.6 5.0 1.0
SG B:CYS63 4.7 5.7 1.0
CA B:TRP80 4.7 4.9 1.0
SG B:CYS43 4.8 5.0 1.0
N B:SER79 4.8 5.1 1.0
SG B:CYS46 4.8 4.8 1.0
CB B:SER79 4.8 5.8 1.0
CA B:SER79 5.0 5.2 1.0

Reference:

E.Parisini, F.Capozzi, P.Lubini, V.Lamzin, C.Luchinat, G.M.Sheldrick. Ab Initio Solution and Refinement of Two High-Potential Iron Protein Structures at Atomic Resolution. Acta Crystallogr.,Sect.D V. 55 1773 1999.
ISSN: ISSN 0907-4449
PubMed: 10531472
DOI: 10.1107/S0907444999009129
Page generated: Sun Dec 13 14:09:10 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