Iron in PDB 3ccg: Crystal Structure of Predicted Hd Superfamily Hydrolase Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 A Resolution

The structure of Crystal Structure of Predicted Hd Superfamily Hydrolase Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 A Resolution, PDB code: 3ccg 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)	25.87 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.540, 36.320, 72.600, 90.00, 125.46, 90.00
R / Rfree (%)	18 / 21.7

The binding sites of Iron atom in the Crystal Structure of Predicted Hd Superfamily Hydrolase Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 A Resolution (pdb code 3ccg). 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 Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 A Resolution, PDB code: 3ccg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Predicted Hd Superfamily Hydrolase Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 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 Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe190 b:12.8 occ:0.75 O A:HOH195 2.0 13.7 1.0 O A:HOH199 2.1 14.8 1.0 OD1 A:ASP52 2.2 12.1 1.0 O1 A:PO4192 2.2 17.3 1.0 NE2 A:HIS85 2.2 11.5 1.0 NE2 A:HIS111 2.2 10.2 1.0 CD2 A:HIS111 3.1 8.9 1.0 CE1 A:HIS85 3.1 12.8 1.0 CG A:ASP52 3.1 13.4 1.0 CD2 A:HIS85 3.2 10.9 1.0 CE1 A:HIS111 3.3 10.5 1.0 P A:PO4192 3.3 24.8 1.0 FE A:FE191 3.4 18.9 0.8 OD2 A:ASP52 3.4 17.5 1.0 O2 A:PO4192 3.6 27.5 1.0 O4 A:PO4192 3.9 24.4 1.0 O A:HOH250 4.1 27.0 1.0 CG2 A:THR112 4.1 17.5 1.0 CD2 A:HIS51 4.1 12.9 1.0 O A:HOH235 4.3 25.3 1.0 ND1 A:HIS85 4.3 13.3 1.0 CG A:HIS111 4.3 9.8 1.0 NE2 A:HIS51 4.3 14.5 1.0 OD2 A:ASP129 4.3 32.9 1.0 ND1 A:HIS111 4.3 11.5 1.0 CG A:HIS85 4.4 9.9 1.0 CB A:ASP52 4.5 11.7 1.0 NZ A:LYS55 4.5 16.9 1.0 CD A:LYS55 4.5 14.1 1.0 O3 A:PO4192 4.6 26.4 1.0 CG A:ASP129 4.9 28.6 1.0 CA A:ASP52 4.9 10.4 1.0 CE A:LYS55 4.9 14.3 1.0 OD1 A:ASP129 4.9 28.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Predicted Hd Superfamily Hydrolase Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 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 Involved in Nad Metabolism (NP_347894.1) From Clostridium Acetobutylicum at 1.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe191 b:18.9 occ:0.75 O A:HOH195 1.7 13.7 1.0 OD1 A:ASP129 2.2 28.8 1.0 NE2 A:HIS22 2.3 21.5 1.0 O4 A:PO4192 2.4 24.4 1.0 OD2 A:ASP52 2.5 17.5 1.0 NE2 A:HIS51 2.5 14.5 1.0 CG A:ASP129 2.9 28.6 1.0 CE1 A:HIS22 3.2 26.7 1.0 OD2 A:ASP129 3.2 32.9 1.0 P A:PO4192 3.2 24.8 1.0 CG A:ASP52 3.2 13.4 1.0 O1 A:PO4192 3.3 17.3 1.0 CD2 A:HIS22 3.3 24.6 1.0 FE A:FE190 3.4 12.8 0.8 CD2 A:HIS51 3.5 12.9 1.0 OD1 A:ASP52 3.5 12.1 1.0 CE1 A:HIS51 3.5 12.9 1.0 O2 A:PO4192 3.7 27.5 1.0 CB A:ASP129 4.2 19.2 1.0 NH1 A:ARG19 4.2 32.6 1.0 ND1 A:HIS22 4.3 22.2 1.0 CB A:ASP52 4.4 11.7 1.0 O A:HOH199 4.4 14.8 1.0 CG A:HIS22 4.5 20.0 1.0 NE2 A:HIS111 4.5 10.2 1.0 O3 A:PO4192 4.5 26.4 1.0 ND1 A:HIS51 4.6 13.5 1.0 CG A:HIS51 4.6 13.9 1.0 CD2 A:HIS111 4.7 8.9 1.0 CG2 A:VAL26 4.9 14.9 1.0 NH2 A:ARG135 4.9 26.1 1.0 CA A:ASP129 4.9 16.3 1.0 O A:HOH235 4.9 25.3 1.0

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