Copper in PDB 7tep: Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant

The structure of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant, PDB code: 7tep was solved by A.Kakkis, E.Golub, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.30 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.08, 80.57, 49.44, 90, 102.33, 90
R / Rfree (%)	25.3 / 33.9

The structure of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Copper atom in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant (pdb code 7tep). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant, PDB code: 7tep:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


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 A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:21.6 occ:1.00 NE2 A:HIS77 1.8 20.3 1.0 OE2 A:GLU81 2.0 21.8 1.0 NE2 B:HIS63 2.2 21.0 1.0 O C:HOH307 2.3 23.7 1.0 HE1 A:HIS77 2.4 25.2 1.0 CE1 A:HIS77 2.4 21.0 1.0 HE1 B:HIS63 2.6 28.7 1.0 CE1 B:HIS63 2.7 23.9 1.0 HB2 C:CYS96 3.0 29.9 1.0 CD2 A:HIS77 3.1 20.9 1.0 CD A:GLU81 3.2 21.5 1.0 CD2 B:HIS63 3.5 21.6 1.0 HD2 A:HIS77 3.5 25.1 1.0 ND1 A:HIS77 3.6 21.1 1.0 HE22 C:GLN71 3.7 33.3 1.0 O C:CYS96 3.8 25.1 1.0 OE1 A:GLU81 3.8 21.6 1.0 HD2 B:HIS63 3.9 25.9 1.0 CB C:CYS96 3.9 25.0 1.0 CG A:HIS77 4.0 20.6 1.0 HD2 B:HIS59 4.0 28.5 1.0 ND1 B:HIS63 4.0 22.9 1.0 O B:HOH301 4.1 19.7 1.0 HB3 B:HIS59 4.1 27.2 1.0 OG1 C:THR97 4.1 27.7 1.0 C C:CYS96 4.1 26.2 1.0 HB3 C:CYS96 4.1 29.9 1.0 HG1 C:THR97 4.2 33.3 1.0 HD1 A:HIS77 4.3 25.2 1.0 HG3 A:GLU81 4.3 23.0 1.0 CG B:HIS63 4.4 21.2 1.0 CG A:GLU81 4.4 19.1 1.0 NE2 C:GLN71 4.5 27.7 1.0 CA C:CYS96 4.6 26.7 1.0 HD1 B:HIS63 4.7 27.4 1.0 HD23 A:LEU78 4.7 23.0 1.0 HG C:CYS96 4.8 39.0 1.0 N C:THR97 4.8 26.2 1.0 H C:CYS96 4.8 31.6 1.0 CD2 B:HIS59 4.8 23.8 1.0 HG2 A:GLU81 4.8 23.0 1.0 OE1 C:GLN71 4.9 25.2 1.0 CB B:HIS59 5.0 22.6 1.0

Copper binding site 2 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


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 A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:39.8 occ:1.00 SG A:CYS96 1.7 25.1 1.0 NE2 C:HIS77 1.8 27.8 1.0 OE2 C:GLU81 2.0 27.0 1.0 CE1 C:HIS77 2.5 26.8 1.0 NE2 D:HIS63 2.6 28.0 1.0 HE1 C:HIS77 2.6 32.2 1.0 CD2 C:HIS77 2.9 27.6 1.0 HB2 A:CYS96 3.0 27.8 1.0 CD C:GLU81 3.0 27.1 1.0 CB A:CYS96 3.1 23.2 1.0 HD2 C:HIS77 3.3 33.1 1.0 CE1 D:HIS63 3.4 28.1 1.0 HE1 D:HIS63 3.4 33.7 1.0 OE1 C:GLU81 3.4 27.9 1.0 HB3 A:CYS96 3.5 27.8 1.0 HG1 A:THR97 3.6 28.0 1.0 CD2 D:HIS63 3.6 28.3 1.0 ND1 C:HIS77 3.7 26.6 1.0 HE22 A:GLN71 3.8 27.1 1.0 HD2 D:HIS63 3.8 34.0 1.0 CG C:HIS77 3.9 27.6 1.0 HE21 A:GLN71 3.9 27.1 1.0 HB3 D:HIS59 4.0 32.6 1.0 NE2 A:GLN71 4.2 22.5 1.0 OG1 A:THR97 4.3 23.3 1.0 CG C:GLU81 4.3 26.4 1.0 H A:THR97 4.4 27.4 1.0 CA A:CYS96 4.4 22.8 1.0 HD23 C:LEU78 4.4 34.4 1.0 HD1 C:HIS77 4.4 32.0 1.0 HG3 C:GLU81 4.4 31.7 1.0 N A:THR97 4.5 22.8 1.0 ND1 D:HIS63 4.5 28.0 1.0 HZ1 C:LYS83 4.6 27.3 1.0 HG2 C:GLU81 4.6 31.7 1.0 C A:CYS96 4.6 23.6 1.0 HD21 C:LEU78 4.7 34.4 1.0 CG D:HIS63 4.7 27.2 1.0 O A:GLN93 4.8 24.5 1.0 HZ2 C:LYS83 4.8 27.3 1.0 H A:CYS96 4.8 25.1 1.0 CD2 C:LEU78 4.9 28.6 1.0 HD22 C:LEU78 4.9 34.4 1.0 CB D:HIS59 5.0 27.2 1.0

Copper binding site 3 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu202 b:35.0 occ:1.00 OE1 B:GLU81 1.5 28.4 1.0 NE2 B:HIS77 1.6 28.2 1.0 NE2 A:HIS63 1.9 28.6 0.7 O D:HOH312 2.2 29.4 1.0 CD B:GLU81 2.5 28.2 1.0 CD2 B:HIS77 2.7 27.8 1.0 CE1 B:HIS77 2.7 27.7 1.0 CE1 A:HIS63 2.7 28.7 0.7 HE1 A:HIS63 2.8 34.5 0.7 OE2 B:GLU81 2.9 27.2 1.0 HD2 B:HIS77 2.9 33.3 1.0 HE1 B:HIS77 2.9 33.2 1.0 CD2 A:HIS63 3.0 27.9 0.7 HD2 A:HIS63 3.3 33.5 0.7 HB3 D:CYS96 3.3 39.0 1.0 HB2 D:CYS96 3.7 39.0 1.0 ND1 B:HIS77 3.8 27.4 1.0 CG B:HIS77 3.8 27.2 1.0 ND1 A:HIS63 3.8 27.2 0.7 CB D:CYS96 4.0 32.5 1.0 CG B:GLU81 4.0 29.4 1.0 CG A:HIS63 4.0 26.9 0.7 HE21 D:GLN71 4.0 32.7 0.7 OG1 D:THR97 4.2 29.2 1.0 HG2 B:GLU81 4.3 35.2 1.0 HB3 A:HIS59 4.3 36.3 1.0 O B:HIS77 4.4 25.0 1.0 HG1 D:THR97 4.5 35.1 1.0 HD1 B:HIS77 4.6 32.9 1.0 HG3 B:GLU81 4.6 35.2 1.0 HD1 A:HIS63 4.6 32.7 0.7 C D:CYS96 4.6 31.5 1.0 HB2 B:GLU81 4.7 37.5 1.0 HD23 B:LEU78 4.8 34.7 1.0 O D:CYS96 4.8 33.0 1.0 NE2 D:GLN71 4.8 27.3 0.7 HE21 D:GLN71 4.8 32.9 0.3 N D:THR97 4.9 29.7 1.0 CB B:GLU81 4.9 31.2 1.0 OE1 D:GLN71 4.9 27.6 0.3 CA D:CYS96 4.9 31.3 1.0 HB2 A:HIS63 4.9 32.8 0.3 HE22 D:GLN71 4.9 32.7 0.7 O D:GLN93 5.0 30.1 1.0 HB3 B:GLU81 5.0 37.5 1.0 H D:THR97 5.0 35.7 1.0

Copper binding site 4 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu202 b:46.5 occ:1.00 NE2 C:HIS63 1.7 32.5 1.0 SG B:CYS96 1.8 27.9 1.0 NE2 D:HIS77 2.0 32.1 1.0 OE2 D:GLU81 2.5 35.8 1.0 CE1 C:HIS63 2.6 29.9 1.0 CD2 C:HIS63 2.8 29.5 1.0 HE1 C:HIS63 2.9 35.9 1.0 CE1 D:HIS77 3.0 32.2 1.0 CD2 D:HIS77 3.0 32.1 1.0 HD2 C:HIS63 3.1 35.4 1.0 HE1 D:HIS77 3.2 38.6 1.0 HD2 D:HIS77 3.2 38.5 1.0 HB2 B:CYS96 3.2 36.4 1.0 CD D:GLU81 3.3 36.2 1.0 CB B:CYS96 3.3 30.3 1.0 OE1 D:GLU81 3.3 38.6 1.0 HZ3 C:TRP66 3.7 37.0 1.0 HB3 B:CYS96 3.7 36.4 1.0 ND1 C:HIS63 3.8 28.8 1.0 CG C:HIS63 3.8 29.7 1.0 ND1 D:HIS77 4.1 30.7 1.0 CG D:HIS77 4.1 32.9 1.0 CZ3 C:TRP66 4.2 30.8 1.0 HE21 B:GLN71 4.3 32.6 1.0 HE22 B:GLN71 4.4 32.6 1.0 HE3 C:TRP66 4.5 36.9 1.0 CA B:CYS96 4.5 30.0 1.0 HB3 C:HIS59 4.5 37.0 1.0 HD1 C:HIS63 4.6 34.5 1.0 C B:CYS96 4.6 29.1 1.0 CE3 C:TRP66 4.6 30.8 1.0 ND1 C:HIS59 4.6 33.1 1.0 O D:HIS77 4.7 34.9 1.0 NE2 B:GLN71 4.7 27.2 1.0 CG D:GLU81 4.7 36.3 1.0 HG1 B:THR97 4.8 32.2 1.0 O B:CYS96 4.8 27.8 1.0 O C:HIS59 4.9 28.5 1.0 HG2 D:GLU81 4.9 43.5 1.0 HD1 D:HIS77 4.9 36.8 1.0 HA C:HIS59 4.9 37.4 1.0 N B:THR97 4.9 28.3 1.0 CH2 C:TRP66 4.9 30.3 1.0 OG1 B:THR97 5.0 26.9 1.0

A.Kakkis, E.Golub. Crystal Structure of A Co-Bound Cytochrome CB562 Variant in the Presence of Reductant To Be Published.