Iron in PDB 3qxb: Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution

The structure of Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution, PDB code: 3qxb was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.68 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.188, 94.903, 173.197, 90.00, 93.04, 90.00
R / Rfree (%)	15 / 19.2

The structure of Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution also contains other interesting chemical elements:

Manganese	(Mn)	8 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Iron atom in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution (pdb code 3qxb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution, PDB code: 3qxb:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:26.7 occ:0.66 MN A:MN302 0.0 25.2 0.3 OE1 A:GLU267 2.1 27.5 1.0 OE2 A:GLU159 2.2 20.9 1.0 OD2 A:ASP194 2.2 26.5 1.0 ND1 A:HIS225 2.2 19.6 1.0 O A:HOH617 2.3 28.8 1.0 O A:HOH507 2.3 23.0 1.0 CD A:GLU267 3.1 29.0 1.0 CE1 A:HIS225 3.1 23.1 1.0 CD A:GLU159 3.1 20.7 1.0 CG A:ASP194 3.2 25.6 1.0 CG A:HIS225 3.3 22.2 1.0 OE1 A:GLU159 3.4 25.9 1.0 OE2 A:GLU267 3.4 31.6 1.0 CB A:ASP194 3.6 25.7 1.0 CB A:HIS225 3.7 22.9 1.0 CE1 A:HIS236 4.0 23.3 1.0 CE1 A:HIS197 4.0 25.7 1.0 MN A:MN303 4.1 31.4 0.5 FE A:FE304 4.1 31.1 0.2 NE2 A:HIS197 4.1 24.9 1.0 NE2 A:HIS225 4.3 21.2 1.0 O A:HOH1078 4.3 35.4 1.0 OD1 A:ASP194 4.4 28.7 1.0 CD2 A:HIS225 4.4 20.8 1.0 CG A:GLU267 4.4 25.1 1.0 CG A:GLU159 4.5 22.0 1.0 NE2 A:HIS236 4.7 24.7 1.0 CB A:GLU267 4.7 22.4 1.0 ND1 A:HIS197 4.8 23.6 1.0 CA A:ASP194 4.9 26.1 1.0 O A:HOH1043 4.9 37.9 1.0 ND1 A:HIS236 5.0 23.7 1.0

Iron binding site 2 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe304 b:31.1 occ:0.25 MN A:MN303 0.0 31.4 0.5 OD2 A:ASP234 2.0 27.4 1.0 NE2 A:HIS236 2.1 24.7 1.0 NE2 A:HIS197 2.2 24.9 1.0 O A:HOH507 2.3 23.0 1.0 O A:HOH1291 2.4 50.1 1.0 CE1 A:HIS236 2.8 23.3 1.0 CG A:ASP234 3.0 27.9 1.0 CD2 A:HIS197 3.1 25.4 1.0 CE1 A:HIS197 3.2 25.7 1.0 OD1 A:ASP234 3.3 24.6 1.0 CD2 A:HIS236 3.3 22.1 1.0 OD2 A:ASP194 3.8 26.5 1.0 O A:HOH1078 3.9 35.4 1.0 ND1 A:HIS236 4.0 23.7 1.0 MN A:MN302 4.1 25.2 0.3 FE A:FE301 4.1 26.7 0.7 ND1 A:HIS197 4.3 23.6 1.0 CG A:HIS197 4.3 24.0 1.0 NE2 A:GLN227 4.3 24.8 1.0 CG A:HIS236 4.3 24.4 1.0 CB A:ASP234 4.3 29.5 1.0 O B:HOH898 4.4 36.3 1.0 O A:HOH601 4.5 27.1 1.0 CG A:ASP194 4.6 25.6 1.0 OE1 A:GLU267 4.6 27.5 1.0 OE2 A:GLU159 4.8 20.9 1.0

Iron binding site 3 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:23.0 occ:0.66 MN B:MN302 0.0 22.4 0.3 OE2 B:GLU159 2.1 20.8 1.0 OD2 B:ASP194 2.1 20.6 1.0 OE1 B:GLU267 2.2 23.6 1.0 ND1 B:HIS225 2.2 16.4 1.0 O B:HOH468 2.3 21.9 1.0 O B:HOH495 2.4 23.1 1.0 CE1 B:HIS225 3.0 18.3 1.0 CD B:GLU159 3.1 22.7 1.0 CD B:GLU267 3.1 26.5 1.0 CG B:ASP194 3.2 20.4 1.0 CG B:HIS225 3.3 22.3 1.0 OE2 B:GLU267 3.4 31.7 1.0 OE1 B:GLU159 3.4 25.1 1.0 CB B:ASP194 3.6 18.4 1.0 CB B:HIS225 3.8 22.0 1.0 CE1 B:HIS236 3.9 23.5 1.0 CE1 B:HIS197 4.0 22.0 1.0 FE B:FE304 4.1 30.0 0.2 MN B:MN303 4.1 30.1 0.5 O B:HOH1234 4.1 41.8 1.0 NE2 B:HIS197 4.1 19.3 1.0 NE2 B:HIS225 4.2 21.4 1.0 OD1 B:ASP194 4.3 25.5 1.0 CD2 B:HIS225 4.4 19.3 1.0 CG B:GLU159 4.4 20.8 1.0 CG B:GLU267 4.5 23.1 1.0 NE2 B:HIS236 4.6 24.6 1.0 ND1 B:HIS197 4.8 20.4 1.0 CB B:GLU267 4.8 22.1 1.0 CA B:ASP194 4.9 20.1 1.0 CD2 B:HIS197 4.9 20.2 1.0 ND1 B:HIS236 5.0 23.2 1.0

Iron binding site 4 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe304 b:30.0 occ:0.25 MN B:MN303 0.0 30.1 0.5 OD2 B:ASP234 1.9 24.6 1.0 NE2 B:HIS197 2.2 19.3 1.0 NE2 B:HIS236 2.2 24.6 1.0 O B:HOH468 2.2 21.9 1.0 O B:HOH1118 2.5 34.8 1.0 CG B:ASP234 2.8 26.1 1.0 CE1 B:HIS236 3.0 23.5 1.0 OD1 B:ASP234 3.1 22.7 1.0 CE1 B:HIS197 3.1 22.0 1.0 CD2 B:HIS197 3.2 20.2 1.0 CD2 B:HIS236 3.4 23.3 1.0 O B:HOH1234 3.7 41.8 1.0 OD2 B:ASP194 3.8 20.6 1.0 FE B:FE301 4.1 23.0 0.7 MN B:MN302 4.1 22.4 0.3 CB B:ASP234 4.1 26.5 1.0 ND1 B:HIS236 4.2 23.2 1.0 ND1 B:HIS197 4.3 20.4 1.0 CG B:HIS197 4.3 21.0 1.0 NE2 B:GLN227 4.3 21.0 1.0 CG B:HIS236 4.4 22.5 1.0 O B:HOH703 4.4 26.8 1.0 O A:HOH1130 4.5 37.4 1.0 CG B:ASP194 4.6 20.4 1.0 OE1 B:GLU267 4.7 23.6 1.0 OE2 B:GLU159 4.8 20.8 1.0

Iron binding site 5 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:23.0 occ:0.66 MN C:MN302 0.0 23.8 0.3 OD2 C:ASP194 2.1 21.7 1.0 OE2 C:GLU159 2.1 20.9 1.0 OE1 C:GLU267 2.1 25.4 1.0 ND1 C:HIS225 2.2 16.2 1.0 O C:HOH718 2.3 24.7 1.0 O C:HOH684 2.5 26.8 1.0 CE1 C:HIS225 3.0 18.9 1.0 CD C:GLU159 3.1 22.8 1.0 CD C:GLU267 3.1 29.7 1.0 CG C:ASP194 3.2 24.1 1.0 CG C:HIS225 3.3 17.4 1.0 OE2 C:GLU267 3.5 33.1 1.0 OE1 C:GLU159 3.5 23.9 1.0 CB C:ASP194 3.6 21.3 1.0 CB C:HIS225 3.7 18.7 1.0 CE1 C:HIS236 3.9 20.6 1.0 CE1 C:HIS197 4.0 23.0 1.0 FE C:FE304 4.1 26.5 0.2 MN C:MN303 4.2 26.3 0.5 NE2 C:HIS225 4.2 17.1 1.0 O C:HOH1187 4.2 38.1 1.0 NE2 C:HIS197 4.2 20.0 1.0 OD1 C:ASP194 4.3 26.4 1.0 CD2 C:HIS225 4.3 15.3 1.0 CG C:GLU159 4.4 20.0 1.0 CG C:GLU267 4.5 22.8 1.0 NE2 C:HIS236 4.6 17.2 1.0 ND1 C:HIS197 4.7 19.4 1.0 CB C:GLU267 4.8 21.1 1.0 CA C:ASP194 4.9 21.0 1.0 CD2 C:LEU192 4.9 23.6 1.0 O C:HOH1245 5.0 43.6 1.0

Iron binding site 6 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe304 b:26.5 occ:0.25 MN C:MN303 0.0 26.3 0.5 OD2 C:ASP234 1.9 25.3 1.0 NE2 C:HIS197 2.1 20.0 1.0 NE2 C:HIS236 2.2 17.2 1.0 O C:HOH718 2.2 24.7 1.0 O C:HOH1224 2.8 43.8 1.0 CG C:ASP234 2.9 24.8 1.0 CE1 C:HIS236 3.0 20.6 1.0 CE1 C:HIS197 3.1 23.0 1.0 CD2 C:HIS197 3.1 20.3 1.0 OD1 C:ASP234 3.2 24.8 1.0 CD2 C:HIS236 3.3 21.5 1.0 OD2 C:ASP194 3.9 21.7 1.0 O C:HOH1187 4.0 38.1 1.0 MN C:MN302 4.1 23.8 0.3 FE C:FE301 4.1 23.0 0.7 ND1 C:HIS197 4.2 19.4 1.0 ND1 C:HIS236 4.2 19.8 1.0 CG C:HIS197 4.2 20.7 1.0 CB C:ASP234 4.3 24.1 1.0 NE2 C:GLN227 4.3 17.3 1.0 CG C:HIS236 4.3 20.0 1.0 O D:HOH1128 4.4 33.7 1.0 O C:HOH554 4.5 22.1 1.0 CG C:ASP194 4.5 24.1 1.0 OE1 C:GLU267 4.6 25.4 1.0 OE2 C:GLU159 4.8 20.9 1.0 OD1 C:ASP194 4.8 26.4 1.0

Iron binding site 7 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:26.4 occ:0.66 MN D:MN302 0.0 26.5 0.3 OE1 D:GLU267 2.2 28.8 1.0 OE2 D:GLU159 2.2 20.3 1.0 OD2 D:ASP194 2.2 22.9 1.0 O D:HOH655 2.3 26.8 1.0 ND1 D:HIS225 2.4 19.1 1.0 O D:HOH967 2.5 29.8 1.0 CD D:GLU159 3.1 21.2 1.0 CD D:GLU267 3.1 29.9 1.0 CE1 D:HIS225 3.2 22.7 1.0 CG D:ASP194 3.2 23.7 1.0 OE1 D:GLU159 3.3 24.4 1.0 OE2 D:GLU267 3.3 36.1 1.0 CG D:HIS225 3.4 22.5 1.0 CB D:ASP194 3.6 21.8 1.0 CB D:HIS225 3.8 23.4 1.0 CE1 D:HIS236 3.9 23.7 1.0 CE1 D:HIS197 4.0 21.6 1.0 NE2 D:HIS197 4.1 20.8 1.0 FE D:FE304 4.2 27.4 0.2 MN D:MN303 4.2 28.1 0.5 NE2 D:HIS225 4.3 21.1 1.0 OD1 D:ASP194 4.4 22.1 1.0 CG D:GLU159 4.4 21.2 1.0 CD2 D:HIS225 4.5 21.7 1.0 CG D:GLU267 4.5 25.7 1.0 O D:HOH1212 4.5 41.0 1.0 NE2 D:HIS236 4.5 27.2 1.0 O D:HOH1272 4.7 41.5 1.0 ND1 D:HIS197 4.7 23.9 1.0 CB D:GLU267 4.8 24.9 1.0 CA D:ASP194 4.9 24.2 1.0 CD2 D:LEU192 4.9 22.4 1.0 CD2 D:HIS197 5.0 24.1 1.0

Iron binding site 8 out of 8 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution


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 A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe304 b:27.4 occ:0.25 MN D:MN303 0.0 28.1 0.5 OD2 D:ASP234 2.1 23.7 1.0 NE2 D:HIS197 2.2 20.8 1.0 NE2 D:HIS236 2.2 27.2 1.0 O D:HOH655 2.3 26.8 1.0 O D:HOH1237 2.7 43.5 1.0 O D:HOH1279 2.7 47.4 1.0 CG D:ASP234 2.9 26.8 1.0 CE1 D:HIS236 3.1 23.7 1.0 CD2 D:HIS197 3.1 24.1 1.0 OD1 D:ASP234 3.1 22.0 1.0 CE1 D:HIS197 3.2 21.6 1.0 CD2 D:HIS236 3.2 26.3 1.0 OD2 D:ASP194 3.8 22.9 1.0 O D:HOH1272 4.0 41.5 1.0 O D:HOH1212 4.1 41.0 1.0 NE2 D:GLN227 4.2 22.2 1.0 MN D:MN302 4.2 26.5 0.3 FE D:FE301 4.2 26.4 0.7 ND1 D:HIS236 4.2 25.2 1.0 CG D:HIS197 4.3 22.5 1.0 O D:HOH987 4.3 33.7 1.0 ND1 D:HIS197 4.3 23.9 1.0 CB D:ASP234 4.3 25.9 1.0 CG D:HIS236 4.3 24.8 1.0 O D:HOH746 4.5 27.3 1.0 CG D:ASP194 4.6 23.7 1.0 O D:HOH1308 4.7 49.1 1.0 OE1 D:GLU267 4.8 28.8 1.0 OE2 D:GLU159 4.9 20.3 1.0 OD1 D:ASP194 5.0 22.1 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.