Iron in PDB 2o08: Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution

The structure of Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution, PDB code: 2o08 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)	28.88 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	86.830, 166.510, 73.410, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.3

The binding sites of Iron atom in the Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution (pdb code 2o08). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution, PDB code: 2o08:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans 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 Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:24.5 occ:1.00 O A:HOH622 1.8 29.0 1.0 O3 A:PO4500 2.1 34.4 1.0 NE2 A:HIS21 2.2 28.5 1.0 OD2 A:ASP51 2.2 31.8 1.0 NE2 A:HIS50 2.2 30.7 1.0 OD1 A:ASP127 2.2 34.9 1.0 CE1 A:HIS21 3.0 29.6 1.0 CD2 A:HIS50 3.0 25.4 1.0 CG A:ASP51 3.1 33.0 1.0 CG A:ASP127 3.1 35.0 1.0 CD2 A:HIS21 3.2 31.0 1.0 CE1 A:HIS50 3.2 29.4 1.0 P A:PO4500 3.4 32.1 1.0 OD1 A:ASP51 3.4 32.3 1.0 OD2 A:ASP127 3.5 39.6 1.0 O2 A:PO4500 3.6 27.0 1.0 FE A:FE401 3.6 24.4 1.0 NH2 A:ARG133 4.0 46.1 1.0 NH2 A:ARG18 4.1 35.0 1.0 ND1 A:HIS21 4.2 28.9 1.0 CG A:HIS50 4.2 25.1 1.0 O4 A:PO4500 4.2 38.6 1.0 ND1 A:HIS50 4.3 30.1 1.0 CG A:HIS21 4.3 28.1 1.0 CB A:ASP127 4.4 32.8 1.0 CB A:ASP51 4.4 28.7 1.0 O1 A:PO4500 4.5 25.9 1.0 NE2 A:HIS109 4.7 25.9 1.0 CG2 A:VAL25 4.7 25.1 1.0 CZ A:ARG133 4.8 47.8 1.0 CD2 A:HIS109 4.8 28.4 1.0 CA A:ASP127 4.9 33.0 1.0 NH1 A:ARG133 5.0 56.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans 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 Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:24.4 occ:1.00 O A:HOH622 2.1 29.0 1.0 O2 A:PO4500 2.1 27.0 1.0 OD1 A:ASP51 2.1 32.3 1.0 NE2 A:HIS83 2.2 37.4 1.0 NE2 A:HIS109 2.2 25.9 1.0 O A:HOH507 2.3 24.5 1.0 CG A:ASP51 3.1 33.0 1.0 CD2 A:HIS109 3.2 28.4 1.0 CE1 A:HIS83 3.2 36.9 1.0 CD2 A:HIS83 3.2 38.5 1.0 CE1 A:HIS109 3.3 32.3 1.0 P A:PO4500 3.4 32.1 1.0 OD2 A:ASP51 3.4 31.8 1.0 FE A:FE400 3.6 24.5 1.0 O3 A:PO4500 3.7 34.4 1.0 OG1 A:THR110 3.9 32.5 1.0 O A:HOH661 4.0 45.0 1.0 O4 A:PO4500 4.1 38.6 1.0 CD2 A:HIS50 4.1 25.4 1.0 OD2 A:ASP127 4.2 39.6 1.0 O A:HOH662 4.2 32.4 1.0 ND1 A:HIS83 4.3 29.0 1.0 CG A:HIS109 4.3 31.9 1.0 CG A:HIS83 4.4 29.8 1.0 ND1 A:HIS109 4.4 31.6 1.0 NE2 A:HIS50 4.5 30.7 1.0 CB A:ASP51 4.5 28.7 1.0 O1 A:PO4500 4.6 25.9 1.0 OD1 A:ASP127 4.7 34.9 1.0 CG A:ASP127 4.8 35.0 1.0 CA A:ASP51 4.9 28.8 1.0 CD A:LYS54 4.9 38.9 1.0 O A:HIS50 4.9 27.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans 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 Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:25.4 occ:1.00 O B:HOH625 1.9 26.4 1.0 O1B B:DGI500 2.1 35.5 1.0 NE2 B:HIS83 2.2 26.7 1.0 OD1 B:ASP51 2.2 33.1 1.0 O1A B:DGI500 2.3 29.3 1.0 NE2 B:HIS109 2.3 29.0 1.0 CD2 B:HIS109 3.2 34.4 1.0 CE1 B:HIS83 3.2 36.1 1.0 CD2 B:HIS83 3.2 32.6 1.0 PB B:DGI500 3.2 46.7 1.0 CG B:ASP51 3.2 37.1 1.0 PA B:DGI500 3.3 64.8 1.0 O3A B:DGI500 3.3 54.0 1.0 CE1 B:HIS109 3.3 33.5 1.0 FE B:FE401 3.5 27.6 1.0 OD2 B:ASP51 3.5 29.4 1.0 O2B B:DGI500 3.7 46.1 1.0 OG1 B:THR110 3.8 30.6 1.0 CD2 B:HIS50 4.2 31.3 1.0 OD2 B:ASP127 4.2 37.7 1.0 O5' B:DGI500 4.2 49.4 1.0 ND1 B:HIS83 4.3 29.8 1.0 CG B:HIS83 4.3 30.8 1.0 CG B:HIS109 4.4 32.1 1.0 ND1 B:HIS109 4.4 33.8 1.0 O2A B:DGI500 4.4 55.6 1.0 O3B B:DGI500 4.5 46.1 1.0 NE2 B:HIS50 4.5 32.1 1.0 CD B:LYS54 4.5 37.5 1.0 CB B:ASP51 4.6 28.5 1.0 NZ B:LYS54 4.6 41.0 1.0 OD1 B:ASP127 4.8 34.6 1.0 CG B:ASP127 4.9 37.5 1.0 CA B:ASP51 4.9 26.0 1.0 NH1 B:ARG18 4.9 57.3 1.0 O B:HIS50 5.0 31.7 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Putative Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans 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 Hd Superfamily Hydrolase (BH1327) From Bacillus Halodurans at 1.90 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:27.6 occ:1.00 O B:HOH625 2.0 26.4 1.0 NE2 B:HIS21 2.1 32.1 1.0 NE2 B:HIS50 2.2 32.1 1.0 OD1 B:ASP127 2.2 34.6 1.0 OD2 B:ASP51 2.2 29.4 1.0 O2B B:DGI500 2.4 46.1 1.0 CD2 B:HIS50 3.0 31.3 1.0 CD2 B:HIS21 3.0 30.9 1.0 CG B:ASP51 3.1 37.1 1.0 CE1 B:HIS21 3.1 35.9 1.0 CG B:ASP127 3.1 37.5 1.0 CE1 B:HIS50 3.3 36.5 1.0 OD1 B:ASP51 3.4 33.1 1.0 OD2 B:ASP127 3.4 37.7 1.0 PB B:DGI500 3.5 46.7 1.0 FE B:FE400 3.5 25.4 1.0 O1B B:DGI500 3.6 35.5 1.0 O3A B:DGI500 3.9 54.0 1.0 NH2 B:ARG133 4.1 50.4 1.0 NH1 B:ARG18 4.2 57.3 1.0 CG B:HIS21 4.2 33.2 1.0 CG B:HIS50 4.2 26.8 1.0 ND1 B:HIS21 4.2 30.6 1.0 ND1 B:HIS50 4.3 27.0 1.0 CB B:ASP51 4.4 28.5 1.0 CB B:ASP127 4.4 34.1 1.0 NE2 B:HIS109 4.6 29.0 1.0 CD2 B:HIS109 4.7 34.4 1.0 CG2 B:VAL25 4.7 29.1 1.0 O3B B:DGI500 4.9 46.1 1.0 O1A B:DGI500 4.9 29.3 1.0 CZ B:ARG133 4.9 49.4 1.0 CA B:ASP127 5.0 34.1 1.0

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