Atomistry » Iron » PDB 3r1a-3rmk » 3r2s
Atomistry »
  Iron »
    PDB 3r1a-3rmk »
      3r2s »

Iron in PDB 3r2s: 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0)

Protein crystallography data

The structure of 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0), PDB code: 3r2s was solved by S.W.Lovell, K.P.Battaile, H.Yao, G.Jepkorir, P.V.Nama, S.Weeratunga, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.61 / 2.10
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 171.162, 171.162, 171.162, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 25.1

Other elements in 3r2s:

The structure of 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0) (pdb code 3r2s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0), PDB code: 3r2s:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3r2s

Go back to Iron Binding Sites List in 3r2s
Iron binding site 1 out of 4 in the 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe155

b:59.8
occ:1.00
O A:HOH204 2.1 41.3 1.0
OE1 A:GLU18 2.2 44.4 1.0
OE1 A:GLU51 2.3 38.0 1.0
O A:HOH214 2.4 38.9 1.0
O A:HOH224 2.5 37.3 1.0
ND1 A:HIS54 2.5 34.7 1.0
CD A:GLU18 3.1 47.8 1.0
CD A:GLU51 3.2 41.8 1.0
OE2 A:GLU51 3.3 43.9 1.0
CE1 A:HIS54 3.4 38.3 1.0
OE2 A:GLU18 3.4 44.7 1.0
CG A:HIS54 3.5 36.6 1.0
FE A:FE156 3.8 60.7 0.5
CB A:HIS54 3.9 28.4 1.0
OG1 A:THR126 4.0 37.9 1.0
CG A:GLU18 4.5 31.0 1.0
OE1 A:GLU93 4.5 53.1 1.0
NE2 A:HIS54 4.5 36.2 1.0
CG A:GLU51 4.6 35.0 1.0
CD2 A:HIS54 4.6 38.4 1.0
CA A:GLU51 4.6 29.5 1.0
CG1 A:VAL96 4.7 35.0 1.0
OE2 A:GLU93 4.8 57.4 1.0
CB A:GLU51 4.9 27.5 1.0
OE1 A:GLN122 4.9 38.3 1.0

Iron binding site 2 out of 4 in 3r2s

Go back to Iron Binding Sites List in 3r2s
Iron binding site 2 out of 4 in the 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe156

b:60.7
occ:0.50
ND1 A:HIS130 1.8 50.1 0.5
O A:HOH204 2.1 41.3 1.0
OE2 A:GLU93 2.3 57.4 1.0
CG A:HIS130 2.4 50.8 0.5
OE2 A:GLU51 2.4 43.9 1.0
CE1 A:HIS130 2.6 48.3 0.5
CB A:HIS130 2.9 45.3 1.0
CD A:GLU93 2.9 51.9 1.0
OE1 A:GLU93 3.1 53.1 1.0
FE A:FE157 3.1 59.1 0.5
CD2 A:HIS130 3.3 55.0 0.5
NE2 A:HIS130 3.4 54.5 0.5
CD A:GLU51 3.5 41.8 1.0
O A:HOH224 3.8 37.3 1.0
FE A:FE155 3.8 59.8 1.0
OE1 A:GLU51 4.0 38.0 1.0
CG A:GLU93 4.2 40.6 1.0
CA A:THR126 4.2 32.6 1.0
OG1 A:THR126 4.3 37.9 1.0
OH A:TYR25 4.4 50.1 1.0
CA A:HIS130 4.4 55.4 1.0
OE1 A:GLU47 4.5 56.5 1.0
CE2 A:TYR25 4.6 38.7 1.0
CB A:THR126 4.7 38.3 1.0
N A:THR126 4.7 29.2 1.0
CG A:GLU51 4.8 35.0 1.0
O A:ASP125 4.8 32.8 1.0
CE1 A:HIS54 4.9 38.3 1.0
N A:HIS130 4.9 55.7 1.0
CG2 A:THR126 4.9 38.6 1.0
C A:ASP125 5.0 36.0 1.0
ND1 A:HIS54 5.0 34.7 1.0
CZ A:TYR25 5.0 45.5 1.0

Iron binding site 3 out of 4 in 3r2s

Go back to Iron Binding Sites List in 3r2s
Iron binding site 3 out of 4 in the 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe157

b:59.1
occ:0.50
NE2 A:HIS130 0.6 54.5 0.5
CD2 A:HIS130 1.0 55.0 0.5
CE1 A:HIS130 1.6 48.3 0.5
CG A:HIS130 1.9 50.8 0.5
ND1 A:HIS130 2.1 50.1 0.5
OE1 A:GLU47 2.7 56.5 1.0
FE A:FE156 3.1 60.7 0.5
OE1 A:GLU50 3.2 59.5 1.0
CB A:HIS130 3.3 45.3 1.0
FE A:FE158 3.4 68.3 0.5
CD A:GLU50 3.6 61.8 1.0
OE2 A:GLU50 3.6 65.3 1.0
CB A:ASP129 3.8 55.7 1.0
N A:HIS130 3.9 55.7 1.0
CD A:GLU47 3.9 56.6 1.0
O A:ASP125 4.0 32.8 1.0
CA A:HIS130 4.0 55.4 1.0
OD2 A:ASP129 4.2 75.3 1.0
O A:HOH204 4.4 41.3 1.0
OE2 A:GLU47 4.4 60.3 1.0
CB A:GLU50 4.4 36.0 1.0
C A:ASP125 4.4 36.0 1.0
CB A:ASP125 4.5 34.8 1.0
OE2 A:GLU51 4.5 43.9 1.0
CG A:ASP129 4.6 60.8 1.0
CG A:GLU50 4.6 46.2 1.0
C A:ASP129 4.7 55.9 1.0
CE1 A:HIS54 4.8 38.3 1.0
CA A:ASP129 4.9 51.0 1.0
CA A:ASP125 4.9 34.8 1.0

Iron binding site 4 out of 4 in 3r2s

Go back to Iron Binding Sites List in 3r2s
Iron binding site 4 out of 4 in the 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 2.1A Resolution Structure of Doubly Soaked Ftna From Pseudomonas Aeruginosa (pH 6.0) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe158

b:68.3
occ:0.50
OD2 A:ASP129 2.1 75.3 1.0
OE1 A:GLU50 2.4 59.5 1.0
CB A:ASP129 2.4 55.7 1.0
CG A:ASP129 2.5 60.8 1.0
OE2 A:GLU50 2.9 65.3 1.0
CD A:GLU50 3.0 61.8 1.0
CD2 A:HIS130 3.4 55.0 0.5
NE2 A:HIS130 3.4 54.5 0.5
FE A:FE157 3.4 59.1 0.5
OD1 A:ASP129 3.6 62.5 1.0
CA A:ASP129 3.9 51.0 1.0
OE1 A:GLU47 4.0 56.5 1.0
NE2 A:HIS46 4.0 53.3 1.0
OE2 A:GLU47 4.2 60.3 1.0
CD A:GLU47 4.5 56.6 1.0
CG A:GLU50 4.5 46.2 1.0
C A:ASP129 4.5 55.9 1.0
CD2 A:HIS46 4.6 46.8 1.0
N A:HIS130 4.6 55.7 1.0
CE1 A:HIS130 4.7 48.3 0.5
CG A:HIS130 4.7 50.8 0.5
NH2 A:ARG43 4.7 66.7 1.0
N A:ASP129 4.9 40.0 1.0

Reference:

H.Yao, G.Jepkorir, S.Lovell, P.V.Nama, S.Weeratunga, K.P.Battaile, M.Rivera. Two Distinct Ferritin-Like Molecules in Pseudomonas Aeruginosa: the Product of the Bfra Gene Is A Bacterial Ferritin (Ftna) and Not A Bacterioferritin (Bfr). Biochemistry V. 50 5236 2011.
ISSN: ISSN 0006-2960
PubMed: 21574546
DOI: 10.1021/BI2004119
Page generated: Sun Aug 4 19:08:53 2024

Last articles

Ca in 5NGY
Ca in 5NG1
Ca in 5NFZ
Ca in 5NF3
Ca in 5NF2
Ca in 5NF0
Ca in 5NEY
Ca in 5NES
Ca in 5NEU
Ca in 5NET
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy