Copper in PDB 8qgf: Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii

The structure of Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii, PDB code: 8qgf was solved by N.Petchyam, S.Antonyuk, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 1.32
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	127.952, 127.952, 86.249, 90, 90, 120
R / Rfree (%)	13.4 / 16.2

The structure of Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Copper atom in the Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii (pdb code 8qgf). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii, PDB code: 8qgf:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:11.8 occ:0.85 HD1 A:HIS94 1.3 12.0 1.0 HD1 A:HIS143 1.5 12.3 1.0 ND1 A:HIS94 2.0 12.4 1.0 ND1 A:HIS143 2.0 12.7 1.0 SG A:CYS135 2.2 13.5 1.0 HD13 A:LEU148 2.4 13.3 1.0 HG A:CYS135 2.8 13.6 1.0 CE1 A:HIS143 2.8 12.8 1.0 HA A:HIS94 2.8 13.6 1.0 CE1 A:HIS94 3.0 12.9 1.0 HE1 A:HIS143 3.0 12.8 1.0 HB3 A:HIS143 3.0 11.7 1.0 CD1 A:LEU148 3.0 12.7 1.0 CG A:HIS94 3.1 13.1 1.0 HD12 A:LEU148 3.1 12.7 1.0 CG A:HIS143 3.1 12.1 1.0 HD11 A:LEU148 3.1 13.2 1.0 HE1 A:HIS94 3.1 13.4 1.0 HB3 A:HIS94 3.2 13.2 1.0 HB A:THR137 3.2 13.4 1.0 CB A:CYS135 3.3 13.1 1.0 HB2 A:CYS135 3.3 13.2 1.0 CB A:HIS94 3.4 13.2 1.0 HB3 A:CYS135 3.4 13.2 1.0 CB A:HIS143 3.5 11.2 1.0 CA A:HIS94 3.6 13.2 1.0 HG1 A:THR137 3.7 14.0 0.0 H A:ASN95 3.7 12.9 1.0 O A:PRO93 3.8 13.4 1.0 OG1 A:THR137 4.0 14.4 1.0 NE2 A:HIS143 4.0 12.4 1.0 CB A:THR137 4.0 12.9 1.0 HE3 A:TRP61 4.1 13.1 1.0 CD2 A:HIS143 4.1 12.0 1.0 NE2 A:HIS94 4.1 12.9 1.0 HB2 A:HIS143 4.1 11.4 1.0 CD2 A:HIS94 4.2 12.8 1.0 HB2 A:HIS94 4.4 13.3 1.0 HG22 A:THR137 4.4 13.7 1.0 CG A:LEU148 4.4 12.5 1.0 H A:THR137 4.4 13.3 1.0 N A:ASN95 4.5 12.4 1.0 HA A:HIS143 4.5 11.8 1.0 N A:HIS94 4.5 13.1 1.0 C A:PRO93 4.6 12.9 1.0 C A:HIS94 4.6 13.4 1.0 HD21 A:LEU148 4.6 13.7 1.0 CA A:CYS135 4.6 12.0 1.0 CA A:HIS143 4.6 11.7 1.0 HB3 A:LEU148 4.7 12.2 1.0 CE3 A:TRP61 4.7 13.1 1.0 HB2 A:LEU148 4.7 12.1 1.0 HE2 A:HIS143 4.7 12.3 0.0 CG2 A:THR137 4.8 13.4 1.0 HA A:CYS135 4.8 12.3 1.0 HZ3 A:TRP61 4.8 13.5 1.0 HG12 A:VAL45 4.9 14.5 1.0 HE2 A:HIS94 4.9 12.6 0.0 CB A:LEU148 4.9 11.7 1.0 CD2 A:LEU148 4.9 13.4 1.0 HD22 A:LEU148 4.9 13.3 1.0 H A:ALA136 4.9 12.0 1.0 HD2 A:HIS143 5.0 12.6 1.0 HB3 A:MET92 5.0 15.3 1.0

Copper binding site 2 out of 2 in the Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of As-Isolated M148L Mutant of Three-Domain Heme-Cu Nitrite Reductase From Ralstonia Pickettii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:14.6 occ:1.00 HE2 A:HIS99 1.1 13.5 0.0 HE2 A:HIS134 1.1 13.0 0.0 NE2 A:HIS99 2.0 13.8 1.0 NE2 A:HIS134 2.0 13.2 1.0 O A:HOH636 2.0 14.3 1.0 O A:HOH874 2.2 18.6 0.5 CD2 A:HIS134 2.9 13.4 1.0 CE1 A:HIS99 2.9 13.5 1.0 CD2 A:HIS99 3.0 12.7 1.0 HD2 A:HIS134 3.0 13.4 1.0 HE1 A:HIS99 3.1 13.7 1.0 CE1 A:HIS134 3.1 12.6 1.0 HD2 A:HIS99 3.2 13.3 1.0 HE1 A:HIS134 3.4 13.4 1.0 OD2 A:ASP97 3.8 13.6 1.0 ND1 A:HIS99 4.1 12.6 1.0 CG A:HIS134 4.1 11.5 1.0 CG A:HIS99 4.1 12.3 1.0 ND1 A:HIS134 4.2 13.0 1.0 CG A:ASP97 4.4 11.9 1.0 O A:HOH629 4.5 39.1 0.7 HB3 A:ASP97 4.8 12.2 1.0 OD1 A:ASP97 4.8 12.9 1.0 HD1 A:HIS99 4.8 12.7 0.0 HA3 A:GLY269 4.9 11.9 1.0 HD1 A:HIS134 5.0 12.6 0.0 HG11 A:VAL132 5.0 12.6 1.0

N.Petchyam, S.Antonyuk, S.S.Hasnain. Structural Studies of Haem Three-Domain Copper Nitrite Reductase Mutants From Ralstonia Pickettii To Be Published.