Atomistry » Iron » PDB 3e13-3eai » 3e1q
Atomistry »
  Iron »
    PDB 3e13-3eai »
      3e1q »

Iron in PDB 3e1q: Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.

Protein crystallography data

The structure of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron., PDB code: 3e1q was solved by A.Crow, T.L.Lawson, A.Lewin, G.R.Moore, N.E.Le Brun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.31 / 2.60
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 207.659, 207.659, 142.767, 90.00, 90.00, 90.00
R / Rfree (%) 24.5 / 26.3

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. (pdb code 3e1q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron., PDB code: 3e1q:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 1 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


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 W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:24.7
occ:1.00
 OE2 A:GLU51 2.1 17.9 1.0
OE1 A:GLU18 2.1 16.7 1.0
ND1 A:HIS54 2.1 10.0 1.0
OE1 A:GLU127 2.2 16.0 1.0
OE2 A:GLU18 2.6 17.8 1.0
CD A:GLU18 2.6 15.6 1.0
CD A:GLU51 2.9 14.3 1.0
CE1 A:HIS54 3.0 11.2 1.0
CD A:GLU127 3.0 14.2 1.0
CG A:HIS54 3.1 8.9 1.0
OE1 A:GLU51 3.3 18.9 1.0
OE2 A:GLU127 3.3 16.0 1.0
CB A:HIS54 3.5 8.3 1.0
FE A:FE2301 4.0 39.3 1.0
CA A:GLU51 4.0 9.6 1.0
CG A:GLU18 4.1 12.5 1.0
CG A:GLU51 4.1 11.2 1.0
NE2 A:HIS54 4.1 9.2 1.0
CD2 A:HIS54 4.2 9.5 1.0
CG2 A:ILE123 4.2 5.5 1.0
CB A:GLU51 4.3 10.2 1.0
CG A:GLU127 4.3 13.2 1.0
O A:HOH319 4.7 2.0 1.0
N A:GLU51 4.8 9.6 1.0
CB A:GLU18 4.8 10.4 1.0
O A:ASP50 4.8 9.7 1.0
O A:GLU51 4.9 8.3 1.0
CE1 A:HIS130 5.0 15.3 1.0
CA A:HIS54 5.0 7.9 1.0
C A:GLU51 5.0 9.2 1.0

Iron binding site 2 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 2 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


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 W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:39.3
occ:1.00
 OE2 A:GLU127 2.0 16.0 1.0
OE1 A:GLU51 2.1 18.9 1.0
ND1 A:HIS130 2.1 15.4 1.0
OE2 A:GLU94 2.2 18.3 1.0
OE1 A:GLU94 2.5 19.5 1.0
CD A:GLU94 2.7 17.0 1.0
CE1 A:HIS130 2.9 15.3 1.0
CD A:GLU51 3.0 14.3 1.0
CD A:GLU127 3.1 14.2 1.0
O A:HOH318 3.2 3.9 1.0
CG A:HIS130 3.3 13.3 1.0
OE2 A:GLU51 3.4 17.9 1.0
OE1 A:GLU127 3.6 16.0 1.0
CB A:HIS130 3.8 9.1 1.0
FE A:FE2300 4.0 24.7 1.0
NE2 A:HIS130 4.1 15.3 1.0
CE2 A:TYR25 4.2 10.8 1.0
OH A:TYR25 4.2 10.9 1.0
CG A:GLU94 4.2 10.1 1.0
CA A:GLU127 4.2 9.7 1.0
CG A:GLU127 4.3 13.2 1.0
CG A:GLU51 4.3 11.2 1.0
CD2 A:HIS130 4.3 14.4 1.0
CB A:GLU127 4.4 9.3 1.0
CZ A:TYR25 4.7 11.1 1.0
O A:HOH317 4.8 4.2 1.0
O A:GLU127 4.9 8.7 1.0

Iron binding site 3 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 3 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


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 W133F Variant E. Coli Bacterioferritn with Iron. 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
NC A:HEM200 2.1 17.4 0.5
ND A:HEM200 2.1 18.1 0.5
NB A:HEM200 2.2 17.4 0.5
NA A:HEM200 2.2 17.8 0.5
SD B:MET52 2.3 10.9 1.0
SD A:MET52 2.4 10.9 1.0
C4C A:HEM200 3.0 17.5 0.5
C1C A:HEM200 3.1 16.9 0.5
C1D A:HEM200 3.1 17.9 0.5
C4B A:HEM200 3.1 16.8 0.5
C4D A:HEM200 3.1 18.2 0.5
CE B:MET52 3.2 10.3 1.0
C1A A:HEM200 3.2 18.0 0.5
C1B A:HEM200 3.2 17.4 0.5
C4A A:HEM200 3.2 17.6 0.5
CE A:MET52 3.2 10.3 1.0
CHD A:HEM200 3.4 17.6 0.5
CG B:MET52 3.5 9.3 1.0
CHC A:HEM200 3.5 16.5 0.5
CHA A:HEM200 3.5 17.8 0.5
CG A:MET52 3.5 9.3 1.0
CHB A:HEM200 3.6 17.3 0.5
C3C A:HEM200 4.2 16.5 0.5
CB B:MET52 4.3 9.1 1.0
C2C A:HEM200 4.3 16.4 0.5
C2D A:HEM200 4.4 17.5 0.5
CB A:MET52 4.4 9.1 1.0
C3D A:HEM200 4.4 18.0 0.5
C3B A:HEM200 4.4 16.7 0.5
C2B A:HEM200 4.4 16.9 0.5
C2A A:HEM200 4.4 17.9 0.5
C3A A:HEM200 4.4 17.4 0.5

Iron binding site 4 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 4 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


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 W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe300

b:24.7
occ:1.00
 OE1 B:GLU18 2.1 16.7 1.0
OE2 B:GLU51 2.1 17.9 1.0
ND1 B:HIS54 2.1 10.0 1.0
OE1 B:GLU127 2.1 16.0 1.0
OE2 B:GLU18 2.6 17.8 1.0
CD B:GLU18 2.6 15.6 1.0
CD B:GLU51 2.9 14.3 1.0
CD B:GLU127 3.0 14.2 1.0
CE1 B:HIS54 3.0 11.2 1.0
CG B:HIS54 3.1 8.9 1.0
OE1 B:GLU51 3.2 18.9 1.0
OE2 B:GLU127 3.3 16.0 1.0
CB B:HIS54 3.5 8.3 1.0
FE B:FE2301 4.0 39.3 1.0
CA B:GLU51 4.0 9.6 1.0
CG B:GLU18 4.1 12.5 1.0
CG B:GLU51 4.1 11.2 1.0
NE2 B:HIS54 4.2 9.2 1.0
CD2 B:HIS54 4.2 9.5 1.0
CG2 B:ILE123 4.3 5.5 1.0
CB B:GLU51 4.3 10.2 1.0
CG B:GLU127 4.3 13.2 1.0
CB B:GLU18 4.8 10.4 1.0
N B:GLU51 4.8 9.6 1.0
O B:HOH315 4.8 2.0 1.0
O B:ASP50 4.9 9.7 1.0
O B:GLU51 4.9 8.3 1.0
CE1 B:HIS130 5.0 15.3 1.0

Iron binding site 5 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 5 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:39.3
occ:1.00
 OE2 B:GLU127 2.1 16.0 1.0
OE1 B:GLU51 2.1 18.9 1.0
ND1 B:HIS130 2.1 15.4 1.0
OE2 B:GLU94 2.3 18.3 1.0
OE1 B:GLU94 2.5 19.5 1.0
CD B:GLU94 2.7 17.0 1.0
CE1 B:HIS130 2.9 15.3 1.0
CD B:GLU51 3.0 14.3 1.0
CD B:GLU127 3.1 14.2 1.0
CG B:HIS130 3.3 13.3 1.0
OE2 B:GLU51 3.4 17.9 1.0
O B:HOH323 3.6 10.3 1.0
OE1 B:GLU127 3.6 16.0 1.0
CB B:HIS130 3.8 9.1 1.0
FE B:FE2300 4.0 24.7 1.0
NE2 B:HIS130 4.1 15.3 1.0
OH B:TYR25 4.2 10.9 1.0
CE2 B:TYR25 4.2 10.8 1.0
CA B:GLU127 4.2 9.7 1.0
CG B:GLU94 4.2 10.1 1.0
CD2 B:HIS130 4.3 14.3 1.0
CG B:GLU51 4.3 11.2 1.0
CG B:GLU127 4.3 13.2 1.0
CB B:GLU127 4.4 9.3 1.0
CZ B:TYR25 4.7 11.1 1.0
O B:GLU127 4.9 8.7 1.0

Iron binding site 6 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 6 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe300

b:24.9
occ:1.00
 OE1 C:GLU18 2.0 16.6 1.0
OE2 C:GLU51 2.1 17.9 1.0
ND1 C:HIS54 2.1 10.0 1.0
OE1 C:GLU127 2.1 16.0 1.0
OE2 C:GLU18 2.5 17.8 1.0
CD C:GLU18 2.6 15.6 1.0
CD C:GLU51 2.9 14.3 1.0
CD C:GLU127 3.0 14.2 1.0
CE1 C:HIS54 3.0 11.2 1.0
CG C:HIS54 3.1 8.9 1.0
OE2 C:GLU127 3.3 15.9 1.0
OE1 C:GLU51 3.3 18.9 1.0
CB C:HIS54 3.5 8.3 1.0
FE C:FE2301 4.0 39.3 1.0
CG C:GLU18 4.1 12.5 1.0
CA C:GLU51 4.1 9.6 1.0
CG C:GLU51 4.1 11.2 1.0
NE2 C:HIS54 4.2 9.2 1.0
CG2 C:ILE123 4.2 5.5 1.0
CD2 C:HIS54 4.2 9.5 1.0
CB C:GLU51 4.3 10.2 1.0
CG C:GLU127 4.3 13.2 1.0
CB C:GLU18 4.8 10.4 1.0
N C:GLU51 4.8 9.6 1.0
O C:HOH326 4.9 4.6 1.0
O C:ASP50 4.9 9.7 1.0
O C:GLU51 4.9 8.3 1.0
CE1 C:HIS130 5.0 15.3 1.0
CA C:HIS54 5.0 7.9 1.0

Iron binding site 7 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 7 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe301

b:39.3
occ:1.00
 OE2 C:GLU127 2.0 15.9 1.0
OE1 C:GLU51 2.1 18.9 1.0
ND1 C:HIS130 2.1 15.4 1.0
OE2 C:GLU94 2.3 18.3 1.0
OE1 C:GLU94 2.5 19.5 1.0
CD C:GLU94 2.7 17.0 1.0
CE1 C:HIS130 2.9 15.3 1.0
CD C:GLU51 3.0 14.3 1.0
CD C:GLU127 3.1 14.2 1.0
CG C:HIS130 3.3 13.3 1.0
OE2 C:GLU51 3.4 17.9 1.0
OE1 C:GLU127 3.5 16.0 1.0
CB C:HIS130 3.8 9.1 1.0
FE C:FE2300 4.0 24.9 1.0
NE2 C:HIS130 4.1 15.3 1.0
CA C:GLU127 4.2 9.7 1.0
CE2 C:TYR25 4.2 10.8 1.0
OH C:TYR25 4.2 11.0 1.0
CG C:GLU94 4.2 10.1 1.0
CG C:GLU127 4.3 13.2 1.0
CG C:GLU51 4.3 11.2 1.0
CD2 C:HIS130 4.3 14.4 1.0
CB C:GLU127 4.4 9.3 1.0
CZ C:TYR25 4.7 11.1 1.0
O C:GLU127 4.9 8.7 1.0

Iron binding site 8 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 8 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe300

b:24.7
occ:1.00
 OE2 D:GLU51 2.0 17.8 1.0
OE1 D:GLU18 2.1 16.6 1.0
ND1 D:HIS54 2.1 10.0 1.0
OE1 D:GLU127 2.2 16.0 1.0
OE2 D:GLU18 2.6 17.8 1.0
CD D:GLU18 2.6 15.6 1.0
CD D:GLU51 2.9 14.3 1.0
CD D:GLU127 3.0 14.2 1.0
CE1 D:HIS54 3.0 11.2 1.0
CG D:HIS54 3.1 8.9 1.0
OE1 D:GLU51 3.2 19.0 1.0
OE2 D:GLU127 3.2 16.0 1.0
CB D:HIS54 3.5 8.3 1.0
FE D:FE2301 4.0 39.3 1.0
CA D:GLU51 4.0 9.6 1.0
CG D:GLU18 4.1 12.5 1.0
CG D:GLU51 4.1 11.2 1.0
NE2 D:HIS54 4.2 9.2 1.0
O D:HOH334 4.2 21.8 1.0
CD2 D:HIS54 4.2 9.5 1.0
CG2 D:ILE123 4.3 5.5 1.0
CB D:GLU51 4.3 10.2 1.0
CG D:GLU127 4.3 13.1 1.0
O D:HOH356 4.5 2.0 1.0
N D:GLU51 4.8 9.6 1.0
CB D:GLU18 4.8 10.4 1.0
O D:ASP50 4.9 9.7 1.0
O D:GLU51 4.9 8.3 1.0
CE1 D:HIS130 4.9 15.3 1.0
C D:GLU51 5.0 9.2 1.0

Iron binding site 9 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 9 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe301

b:39.3
occ:1.00
 OE2 D:GLU127 2.0 16.0 1.0
OE1 D:GLU51 2.1 19.0 1.0
ND1 D:HIS130 2.1 15.3 1.0
OE2 D:GLU94 2.2 18.3 1.0
OE1 D:GLU94 2.5 19.5 1.0
CD D:GLU94 2.7 17.0 1.0
CE1 D:HIS130 2.9 15.3 1.0
CD D:GLU51 3.1 14.3 1.0
CD D:GLU127 3.1 14.2 1.0
CG D:HIS130 3.3 13.3 1.0
OE2 D:GLU51 3.4 17.8 1.0
OE1 D:GLU127 3.6 16.0 1.0
CB D:HIS130 3.7 9.1 1.0
FE D:FE2300 4.0 24.7 1.0
NE2 D:HIS130 4.1 15.3 1.0
CE2 D:TYR25 4.2 10.8 1.0
CA D:GLU127 4.2 9.7 1.0
OH D:TYR25 4.2 10.9 1.0
CG D:GLU94 4.2 10.1 1.0
CD2 D:HIS130 4.3 14.4 1.0
CG D:GLU127 4.3 13.1 1.0
CG D:GLU51 4.3 11.2 1.0
CB D:GLU127 4.4 9.3 1.0
CZ D:TYR25 4.7 11.1 1.0
O D:HOH334 4.8 21.8 1.0
O D:GLU127 4.9 8.7 1.0

Iron binding site 10 out of 30 in 3e1q

Go back to Iron Binding Sites List in 3e1q
Iron binding site 10 out of 30 in the Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of W133F Variant E. Coli Bacterioferritn with Iron. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe200

b:19.1
occ:0.50
 FE D:HEM200 0.0 19.1 0.5
NC D:HEM200 2.1 17.5 0.5
NB D:HEM200 2.1 17.4 0.5
ND D:HEM200 2.2 18.1 0.5
NA D:HEM200 2.2 17.8 0.5
SD D:MET52 2.2 10.9 1.0
SD C:MET52 2.4 10.9 1.0
C4C D:HEM200 3.1 17.5 0.5
C1C D:HEM200 3.1 16.9 0.5
CE D:MET52 3.1 10.3 1.0
C1D D:HEM200 3.1 17.9 0.5
C4B D:HEM200 3.1 16.8 0.5
C4D D:HEM200 3.2 18.2 0.5
C1B D:HEM200 3.2 17.4 0.5
C1A D:HEM200 3.2 18.0 0.5
C4A D:HEM200 3.2 17.6 0.5
CE C:MET52 3.2 10.3 1.0
CG D:MET52 3.4 9.3 1.0
CHD D:HEM200 3.4 17.6 0.5
CHC D:HEM200 3.5 16.5 0.5
CHA D:HEM200 3.5 17.8 0.5
CHB D:HEM200 3.5 17.3 0.5
CG C:MET52 3.6 9.3 1.0
CB D:MET52 4.2 9.2 1.0
C3C D:HEM200 4.3 16.5 0.5
C2C D:HEM200 4.3 16.4 0.5
C3B D:HEM200 4.4 16.7 0.5
C2D D:HEM200 4.4 17.5 0.5
C3D D:HEM200 4.4 18.0 0.5
C2B D:HEM200 4.4 16.9 0.5
C2A D:HEM200 4.4 17.9 0.5
C3A D:HEM200 4.4 17.4 0.5
CB C:MET52 4.4 9.1 1.0

Reference:

T.L.Lawson, A.Crow, A.Lewin, S.Yasmin, G.R.Moore, N.E.Le Brun. Monitoring the Iron Status of the Ferroxidase Center of Escherichia Coli Bacterioferritin Using Fluorescence Spectroscopy. Biochemistry V. 48 9031 2009.
ISSN: ISSN 0006-2960
PubMed: 19705876
DOI: 10.1021/BI900869X
Page generated: Sun Aug 4 09:17:51 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy