Iron in PDB 2pq7: Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution

The structure of Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution, PDB code: 2pq7 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)	27.44 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.518, 40.662, 37.789, 90.00, 95.32, 90.00
R / Rfree (%)	18.3 / 19.3

The structure of Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution (pdb code 2pq7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution, PDB code: 2pq7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 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 Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe220 b:16.8 occ:1.00 O A:HOH236 2.0 18.8 1.0 OD1 A:ASP66 2.0 13.7 1.0 O3 A:PO4223 2.1 21.2 1.0 O3 A:PO4224 2.1 22.7 1.0 NE2 A:HIS111 2.2 15.7 1.0 NE2 A:HIS79 2.2 16.9 1.0 CG A:ASP66 3.1 16.7 1.0 CD2 A:HIS111 3.1 17.8 1.0 CE1 A:HIS79 3.2 18.2 1.0 CD2 A:HIS79 3.2 16.5 1.0 CE1 A:HIS111 3.2 13.5 1.0 P A:PO4224 3.3 51.6 1.0 P A:PO4223 3.3 28.7 1.0 OD2 A:ASP66 3.4 15.4 1.0 FE A:FE221 3.6 17.1 1.0 O2 A:PO4224 3.6 56.3 1.0 O4 A:PO4223 3.7 22.2 1.0 CD2 A:HIS65 4.0 13.9 1.0 O1 A:PO4224 4.1 46.4 1.0 O1 A:PO4223 4.2 34.7 1.0 ND1 A:HIS79 4.3 19.6 1.0 NE A:ARG69 4.3 32.5 1.0 CG A:HIS111 4.3 17.0 1.0 NE2 A:HIS65 4.3 13.8 1.0 ND1 A:HIS111 4.3 15.1 1.0 CG A:HIS79 4.4 15.6 1.0 O2 A:PO4223 4.4 33.6 1.0 CB A:ASP66 4.4 12.6 1.0 O4 A:PO4224 4.4 55.1 1.0 OD2 A:ASP131 4.5 21.1 1.0 NH2 A:ARG69 4.6 34.5 1.0 O A:HIS65 4.7 13.7 1.0 CA A:ASP66 4.8 11.8 1.0 CG A:ARG69 4.9 27.4 1.0 CG A:ARG112 4.9 35.5 1.0 OD1 A:ASP131 4.9 17.6 1.0 CZ A:ARG69 4.9 33.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 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 Predicted Hd Superfamily Hydrolase (104161995) From Uncultured Thermotogales Bacterium at 1.45 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe221 b:17.1 occ:1.00 O A:HOH236 2.1 18.8 1.0 OD2 A:ASP66 2.1 15.4 1.0 OD1 A:ASP131 2.1 17.6 1.0 NE2 A:HIS36 2.2 18.2 1.0 NE2 A:HIS65 2.2 13.8 1.0 O4 A:PO4223 2.2 22.2 1.0 CG A:ASP66 3.1 16.7 1.0 CG A:ASP131 3.1 16.1 1.0 CE1 A:HIS36 3.1 18.8 1.0 CD2 A:HIS65 3.1 13.9 1.0 CD2 A:HIS36 3.1 19.2 1.0 CE1 A:HIS65 3.3 12.0 1.0 P A:PO4223 3.3 28.7 1.0 OD1 A:ASP66 3.4 13.7 1.0 OD2 A:ASP131 3.5 21.1 1.0 FE A:FE220 3.6 16.8 1.0 O3 A:PO4223 3.6 21.2 1.0 O2 A:PO4223 4.0 33.6 1.0 O A:HOH354 4.2 50.0 1.0 ND1 A:HIS36 4.2 17.9 1.0 CG A:HIS36 4.3 16.9 1.0 CG A:HIS65 4.3 14.5 1.0 ND1 A:HIS65 4.3 12.5 1.0 CB A:ASP131 4.3 14.0 1.0 O2 A:PO4224 4.3 56.3 1.0 CB A:ASP66 4.3 12.6 1.0 O1 A:PO4223 4.6 34.7 1.0 CG2 A:VAL40 4.6 15.4 1.0 NE2 A:HIS111 4.7 15.7 1.0 CD2 A:HIS111 4.8 17.8 1.0 O3 A:PO4224 4.9 22.7 1.0 O A:HOH258 4.9 26.3 1.0 CA A:ASP131 4.9 16.3 1.0

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