Iron in PDB 9fj2: Rubrerythrin From Clostridium Difficile P28

The structure of Rubrerythrin From Clostridium Difficile P28, PDB code: 9fj2 was solved by B.A.Salgueiro, P.M.Matias, C.V.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.15 / 2.19
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	62.767, 67.674, 95.325, 93.29, 98.34, 106.88
R / Rfree (%)	26.4 / 32.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the Rubrerythrin From Clostridium Difficile P28 (pdb code 9fj2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the Rubrerythrin From Clostridium Difficile P28, PDB code: 9fj2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:45.8 occ:1.00 OE1 A:GLU115 2.1 39.9 1.0 OE2 B:GLU52 2.1 41.4 1.0 OE1 A:GLU84 2.1 45.4 1.0 OE2 A:GLU81 2.1 44.2 1.0 OE2 A:GLU84 2.1 48.2 1.0 O B:O204 2.4 41.4 1.0 CD A:GLU84 2.4 39.6 1.0 OE1 A:GLU81 2.6 45.2 1.0 CD A:GLU81 2.7 43.4 1.0 CD B:GLU52 2.8 27.9 1.0 OE1 B:GLU52 2.9 30.7 1.0 CD A:GLU115 3.1 36.8 1.0 FE B:FE201 3.5 35.4 1.0 OE2 A:GLU115 3.6 32.7 1.0 CG A:GLU84 3.9 40.9 1.0 CG B:GLU52 4.1 29.0 1.0 CG A:GLU81 4.2 47.8 1.0 CG A:GLU115 4.3 36.8 1.0 OE1 B:GLU19 4.3 29.7 1.0 CB B:ALA22 4.4 26.6 1.0 ND1 A:HIS118 4.5 34.6 1.0 OE2 B:GLU19 4.5 30.2 1.0 CB A:GLU115 4.6 36.2 1.0 OH B:TYR26 4.6 38.1 1.0 CB A:GLU84 4.7 44.6 1.0 CD B:GLU19 4.7 26.9 1.0 CE2 B:TYR26 4.7 27.3 1.0 CB A:GLU81 4.8 37.1 1.0 CA A:GLU81 4.9 37.9 1.0

Iron binding site 2 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:29.5 occ:1.00 SG A:CYS161 2.3 36.8 1.0 SG A:CYS148 2.3 21.9 1.0 SG A:CYS145 2.3 35.2 1.0 SG A:CYS164 2.3 26.3 1.0 CB A:CYS145 3.2 29.8 1.0 CB A:CYS161 3.3 27.3 1.0 CB A:CYS148 3.3 32.9 1.0 CB A:CYS164 3.6 31.0 1.0 N A:CYS148 3.9 29.0 1.0 N A:CYS164 3.9 27.9 1.0 CB A:HIS150 4.0 31.1 1.0 CA A:CYS148 4.1 32.8 1.0 CA A:CYS164 4.3 27.2 1.0 N A:HIS150 4.5 35.0 1.0 CB A:VAL163 4.6 26.1 1.0 CA A:CYS145 4.7 28.4 1.0 N A:GLY149 4.7 28.6 1.0 C A:CYS148 4.7 33.6 1.0 CA A:CYS161 4.7 33.5 1.0 CB A:ASN147 4.8 36.5 1.0 CB A:HIS166 4.9 34.3 1.0 CA A:HIS150 4.9 37.9 1.0 C A:CYS164 5.0 31.1 1.0 C A:ASN147 5.0 36.7 1.0 C A:VAL163 5.0 32.8 1.0

Iron binding site 3 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:41.4 occ:1.00 OE2 B:GLU115 1.9 40.4 1.0 OE1 A:GLU52 2.0 49.5 1.0 OE2 A:GLU19 2.0 43.2 1.0 OE1 A:GLU19 2.1 35.7 1.0 ND1 A:HIS55 2.2 27.4 1.0 CD A:GLU19 2.3 34.4 1.0 O A:O204 2.6 39.1 1.0 CD A:GLU52 3.1 41.1 1.0 CG A:HIS55 3.1 34.1 1.0 CD B:GLU115 3.1 40.0 1.0 CE1 A:HIS55 3.3 28.8 1.0 CB A:HIS55 3.3 26.8 1.0 OE2 A:GLU52 3.5 46.8 1.0 FE B:FE203 3.6 55.1 1.0 CG A:GLU19 3.7 36.0 1.0 CG1 B:VAL111 3.8 24.1 1.0 OE1 B:GLU115 3.9 44.5 1.0 CG B:GLU115 4.0 36.4 1.0 OH B:TYR89 4.2 36.1 1.0 CA A:GLU52 4.2 31.5 1.0 CD2 A:HIS55 4.3 26.9 1.0 CG A:GLU52 4.3 36.0 1.0 NE2 A:HIS55 4.3 24.4 1.0 CB A:GLU52 4.5 30.2 1.0 CE2 B:TYR89 4.6 27.6 1.0 CB A:GLU19 4.8 34.1 1.0 CA A:HIS55 4.8 25.0 1.0 O A:GLU52 4.8 25.8 1.0 CZ B:TYR89 4.9 26.9 1.0 OE1 B:GLU84 4.9 52.9 1.0 O A:HOH301 4.9 45.4 1.0

Iron binding site 4 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:35.4 occ:1.00 OE1 B:GLU52 1.9 30.7 1.0 OE2 B:GLU19 1.9 30.2 1.0 OE1 B:GLU19 2.0 29.7 1.0 OE2 A:GLU115 2.0 32.7 1.0 CD B:GLU19 2.2 26.9 1.0 ND1 B:HIS55 2.4 34.4 1.0 CD A:GLU115 3.0 36.8 1.0 O B:O204 3.1 41.4 1.0 CD B:GLU52 3.1 27.9 1.0 OE1 A:GLU115 3.3 39.9 1.0 CG B:HIS55 3.3 31.9 1.0 OE2 A:GLU84 3.3 48.2 1.0 CE1 B:HIS55 3.4 31.1 1.0 CB B:HIS55 3.5 31.1 1.0 FE A:FE201 3.5 45.8 1.0 CG B:GLU19 3.7 27.3 1.0 OE2 B:GLU52 3.7 41.4 1.0 CA B:GLU52 4.1 27.9 1.0 CG1 A:VAL111 4.2 34.4 1.0 CG B:GLU52 4.3 29.0 1.0 CB B:GLU52 4.3 31.6 1.0 CG A:GLU115 4.3 36.8 1.0 OH A:TYR89 4.4 28.1 1.0 CD2 B:HIS55 4.5 25.2 1.0 NE2 B:HIS55 4.5 31.6 1.0 CD A:GLU84 4.5 39.6 1.0 CB B:GLU19 4.5 22.9 1.0 CE2 A:TYR89 4.6 35.1 1.0 N B:GLU52 4.9 31.8 1.0

Iron binding site 5 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:27.5 occ:1.00 SG B:CYS161 2.3 31.2 1.0 SG B:CYS148 2.3 24.3 1.0 SG B:CYS164 2.3 29.8 1.0 SG B:CYS145 2.3 28.2 1.0 CB B:CYS145 3.3 30.3 1.0 CB B:CYS161 3.4 34.9 1.0 CB B:CYS148 3.4 34.4 1.0 CB B:CYS164 3.5 30.7 1.0 N B:CYS164 3.8 39.1 1.0 N B:CYS148 3.8 29.0 1.0 CA B:CYS148 4.2 23.4 1.0 CA B:CYS164 4.2 33.7 1.0 CB B:HIS150 4.4 25.8 1.0 CB B:ASN147 4.6 30.0 1.0 CB B:VAL163 4.6 31.6 1.0 N B:GLY149 4.7 26.6 1.0 N B:HIS150 4.7 25.5 1.0 CA B:CYS145 4.7 28.8 1.0 CA B:CYS161 4.8 37.0 1.0 C B:CYS148 4.8 28.2 1.0 C B:ASN147 4.9 37.1 1.0 C B:VAL163 4.9 35.7 1.0 C B:CYS164 4.9 29.8 1.0 ND2 B:ASN147 5.0 36.2 1.0

Iron binding site 6 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:55.1 occ:1.00 OE1 B:GLU115 1.9 44.5 1.0 OE1 B:GLU84 2.0 52.9 1.0 O A:O204 2.1 39.1 1.0 OE2 A:GLU52 2.1 46.8 1.0 OE2 B:GLU81 2.2 47.0 1.0 CD B:GLU115 2.2 40.0 1.0 OE2 B:GLU84 2.2 56.0 1.0 CD B:GLU84 2.4 45.9 1.0 OE2 B:GLU115 2.5 40.4 1.0 CD A:GLU52 2.9 41.1 1.0 O A:HOH301 3.0 45.4 1.0 OE1 A:GLU52 3.1 49.5 1.0 CD B:GLU81 3.2 36.7 1.0 CG B:GLU115 3.4 36.4 1.0 OE1 B:GLU81 3.5 42.6 1.0 FE A:FE203 3.6 41.4 1.0 OE2 A:GLU19 3.8 43.2 1.0 CG B:GLU84 3.9 42.6 1.0 CB B:GLU115 4.1 30.2 1.0 O A:HOH338 4.1 40.2 1.0 CG A:GLU52 4.3 36.0 1.0 CG B:GLU81 4.5 40.4 1.0 CB B:GLU84 4.6 41.8 1.0 CD A:GLU19 4.6 34.4 1.0 OE1 A:GLU19 4.7 35.7 1.0 ND1 B:HIS118 4.8 27.9 1.0 CA B:GLU115 4.8 29.7 1.0 OH A:TYR26 4.9 31.4 1.0 CB A:ALA22 4.9 28.3 1.0

Iron binding site 7 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:35.5 occ:1.00 OE1 C:GLU52 1.9 31.7 1.0 OE2 C:GLU19 2.0 41.5 1.0 OE2 D:GLU115 2.0 43.2 1.0 OE1 C:GLU19 2.2 31.5 1.0 ND1 C:HIS55 2.3 25.8 1.0 CD C:GLU19 2.4 34.9 1.0 CD D:GLU115 2.8 37.2 1.0 OE1 D:GLU115 3.0 38.4 1.0 CD C:GLU52 3.1 27.9 1.0 OE2 D:GLU84 3.2 46.7 1.0 CE1 C:HIS55 3.3 34.7 1.0 CG C:HIS55 3.3 34.4 1.0 FE D:FE201 3.5 40.5 1.0 CB C:HIS55 3.6 31.1 1.0 OE2 C:GLU52 3.8 40.1 1.0 CG C:GLU19 3.9 42.7 1.0 CG1 D:VAL111 4.1 28.6 1.0 CA C:GLU52 4.1 29.2 1.0 CG D:GLU115 4.2 40.8 1.0 CG C:GLU52 4.2 34.2 1.0 CB C:GLU52 4.3 30.5 1.0 OH D:TYR89 4.4 36.5 1.0 NE2 C:HIS55 4.4 36.4 1.0 CD D:GLU84 4.4 50.4 1.0 CD2 C:HIS55 4.4 24.1 1.0 CE2 D:TYR89 4.5 29.5 1.0 CB C:GLU19 4.8 34.3 1.0 N C:GLU52 4.9 24.0 1.0 CZ D:TYR89 5.0 32.4 1.0

Iron binding site 8 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:25.8 occ:1.00 SG C:CYS161 2.3 23.9 1.0 SG C:CYS145 2.3 32.6 1.0 SG C:CYS164 2.3 25.5 1.0 SG C:CYS148 2.3 25.6 1.0 CB C:CYS145 3.2 24.3 1.0 CB C:CYS161 3.3 27.1 1.0 CB C:CYS148 3.5 35.5 1.0 CB C:CYS164 3.6 35.1 1.0 N C:CYS148 3.8 27.1 1.0 N C:CYS164 4.0 32.0 1.0 CA C:CYS148 4.2 33.0 1.0 CA C:CYS164 4.3 29.6 1.0 CB C:HIS150 4.4 24.1 1.0 CB C:ASN147 4.4 26.9 1.0 CB C:VAL163 4.7 33.7 1.0 CA C:CYS145 4.7 30.8 1.0 ND2 C:ASN147 4.7 30.4 1.0 CA C:CYS161 4.7 23.2 1.0 N C:HIS150 4.8 29.2 1.0 N C:GLY149 4.8 31.0 1.0 C C:ASN147 4.8 34.2 1.0 CB C:HIS166 4.9 33.1 1.0 CG1 C:VAL163 4.9 34.0 1.0 C C:CYS148 4.9 32.7 1.0 C C:CYS164 4.9 29.0 1.0 C C:VAL163 5.0 33.2 1.0 CA C:ASN147 5.0 25.1 1.0

Iron binding site 9 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe203 b:36.7 occ:1.00 OE1 C:GLU81 1.9 51.5 1.0 OE2 C:GLU81 2.0 39.0 1.0 OE1 C:GLU115 2.0 38.0 1.0 OE2 D:GLU52 2.1 44.1 1.0 OE1 C:GLU84 2.2 52.8 1.0 CD C:GLU81 2.2 42.0 1.0 OE2 C:GLU84 2.2 50.6 1.0 CD C:GLU84 2.5 49.0 1.0 O D:O204 2.5 43.4 1.0 CD D:GLU52 3.0 33.4 1.0 CD C:GLU115 3.0 41.6 1.0 OE1 D:GLU52 3.4 30.8 1.0 OE2 C:GLU115 3.7 42.2 1.0 CG C:GLU81 3.7 37.3 1.0 CG C:GLU84 4.0 45.7 1.0 FE D:FE202 4.1 41.9 1.0 CG C:GLU115 4.1 39.9 1.0 ND1 C:HIS118 4.2 28.9 1.0 OE2 D:GLU19 4.3 43.0 1.0 CB C:GLU115 4.3 31.1 1.0 CG D:GLU52 4.3 32.9 1.0 OH D:TYR26 4.3 26.6 1.0 CB C:GLU81 4.5 31.7 1.0 CB D:ALA22 4.6 30.0 1.0 CA C:GLU81 4.6 35.3 1.0 CB C:GLU84 4.6 44.1 1.0 CE2 D:TYR26 4.8 20.8 1.0 CA C:GLU115 4.9 23.8 1.0 CE1 C:HIS118 4.9 19.1 1.0

Iron binding site 10 out of 24 in the Rubrerythrin From Clostridium Difficile P28


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Rubrerythrin From Clostridium Difficile P28 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:40.5 occ:1.00 OE1 D:GLU84 1.9 54.9 1.0 OE2 D:GLU84 1.9 46.7 1.0 OE2 C:GLU52 2.1 40.1 1.0 OE1 D:GLU115 2.1 38.4 1.0 OE2 D:GLU81 2.1 45.6 1.0 CD D:GLU84 2.2 50.4 1.0 O D:HOH303 2.6 40.1 1.0 CD C:GLU52 2.7 27.9 1.0 CD D:GLU81 2.8 36.8 1.0 OE1 C:GLU52 2.8 31.7 1.0 OE1 D:GLU81 2.8 41.4 1.0 CD D:GLU115 3.2 37.2 1.0 FE C:FE201 3.5 35.5 1.0 CG D:GLU84 3.7 36.2 1.0 OE2 D:GLU115 3.9 43.2 1.0 CG C:GLU52 4.1 34.2 1.0 OE2 C:GLU19 4.2 41.5 1.0 CG D:GLU81 4.2 32.7 1.0 CG D:GLU115 4.3 40.8 1.0 OE1 C:GLU19 4.4 31.5 1.0 ND1 D:HIS118 4.4 34.6 1.0 OH C:TYR26 4.4 36.6 1.0 CD C:GLU19 4.4 34.9 1.0 CB D:GLU84 4.5 39.0 1.0 CB C:ALA22 4.6 26.2 1.0 CB D:GLU115 4.6 34.4 1.0 O D:HOH343 4.8 36.5 1.0 CE2 C:TYR26 4.8 33.7 1.0 CA D:GLU81 4.8 35.0 1.0 CB D:GLU81 4.9 34.0 1.0

B.A.Salgueiro, P.M.Matias, C.V.Romao. The X-Ray Crystal Structure of the Rubrerythrin From Clostridium Difficile P28 Obtain By Microdialysis Method. To Be Published.