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

Protein crystallography data

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

Other elements in 7tep:

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

Copper Binding Sites:

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 7tep

Go back to Copper Binding Sites List in 7tep
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 7tep

Go back to Copper Binding Sites List in 7tep
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 7tep

Go back to Copper Binding Sites List in 7tep
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 7tep

Go back to Copper Binding Sites List in 7tep
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

Reference:

A.Kakkis, E.Golub. Crystal Structure of A Co-Bound Cytochrome CB562 Variant in the Presence of Reductant To Be Published.
Page generated: Wed Jul 31 09:15:04 2024

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