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Copper in PDB 1x9r: Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form

Protein crystallography data

The structure of Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form, PDB code: 1x9r was solved by M.Koch, M.Velarde, M.D.Harrison, S.Echt, M.Fischer, A.Messerschmidt, C.Dennison, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.66 / 1.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 92.690, 92.690, 47.310, 90.00, 90.00, 120.00
R / Rfree (%) 22.3 / 26.8

Copper Binding Sites:

The binding sites of Copper atom in the Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form (pdb code 1x9r). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form, PDB code: 1x9r:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 1x9r

Go back to Copper Binding Sites List in 1x9r
Copper binding site 1 out of 2 in the Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu116

b:18.8
occ:1.00
ND1 A:HIS44 1.9 16.4 1.0
ND1 A:HIS90 2.1 18.1 1.0
OE1 A:GLN95 2.2 15.9 1.0
SG A:CYS85 2.2 16.0 1.0
CE1 A:HIS44 2.8 15.3 1.0
CG A:HIS44 3.0 16.5 1.0
CD A:GLN95 3.0 14.1 1.0
CG A:HIS90 3.0 18.2 1.0
CE1 A:HIS90 3.0 18.5 1.0
NE2 A:GLN95 3.2 10.6 1.0
CB A:CYS85 3.3 14.5 1.0
CB A:HIS90 3.3 18.5 1.0
CB A:HIS44 3.4 15.9 1.0
CA A:HIS44 3.6 15.5 1.0
O A:MET43 3.8 15.0 1.0
NE2 A:HIS44 4.0 14.5 1.0
CD2 A:HIS44 4.0 15.6 1.0
CB A:VAL87 4.1 17.7 1.0
NE2 A:HIS90 4.1 16.1 1.0
CD2 A:HIS90 4.2 16.5 1.0
CG A:GLN95 4.3 14.6 1.0
O A:VAL87 4.5 16.1 1.0
N A:HIS44 4.6 16.0 1.0
C A:MET43 4.6 16.5 1.0
N A:ASP45 4.6 15.1 1.0
CG2 A:VAL87 4.6 16.6 1.0
CA A:CYS85 4.7 14.7 1.0
C A:HIS44 4.7 14.8 1.0
CB A:GLN95 4.8 14.9 1.0
CA A:HIS90 4.8 19.6 1.0
N A:ARG13 4.8 18.3 1.0
CG1 A:VAL87 4.9 17.2 1.0
N A:VAL87 4.9 16.5 1.0
CA A:VAL87 4.9 17.4 1.0

Copper binding site 2 out of 2 in 1x9r

Go back to Copper Binding Sites List in 1x9r
Copper binding site 2 out of 2 in the Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu116

b:17.1
occ:1.00
ND1 B:HIS44 2.0 13.2 1.0
ND1 B:HIS90 2.0 18.6 1.0
SG B:CYS85 2.2 22.5 1.0
OE1 B:GLN95 2.2 13.7 1.0
CE1 B:HIS44 2.9 12.6 1.0
CG B:HIS90 3.0 19.2 1.0
CD B:GLN95 3.0 14.7 1.0
CE1 B:HIS90 3.0 19.9 1.0
CG B:HIS44 3.0 13.1 1.0
CB B:CYS85 3.2 17.9 1.0
NE2 B:GLN95 3.2 10.9 1.0
CB B:HIS90 3.3 18.5 1.0
CB B:HIS44 3.4 15.9 1.0
CA B:HIS44 3.7 16.9 1.0
O B:MET43 3.9 13.7 1.0
NE2 B:HIS44 4.1 11.5 1.0
NE2 B:HIS90 4.1 18.3 1.0
CD2 B:HIS90 4.1 18.1 1.0
CD2 B:HIS44 4.1 12.5 1.0
CB B:VAL87 4.2 17.2 1.0
CG B:GLN95 4.4 13.8 1.0
O B:VAL87 4.4 15.9 1.0
CA B:CYS85 4.6 17.4 1.0
N B:ASP45 4.6 17.1 1.0
N B:HIS44 4.7 16.2 1.0
C B:MET43 4.7 16.0 1.0
C B:HIS44 4.7 17.7 1.0
CB B:GLN95 4.8 15.1 1.0
CA B:HIS90 4.8 18.1 1.0
CG2 B:VAL87 4.8 15.5 1.0
N B:VAL87 4.8 16.7 1.0
CA B:VAL87 4.9 16.6 1.0
CG1 B:VAL87 5.0 17.6 1.0
N B:ARG13 5.0 16.8 1.0

Reference:

M.Koch, M.Velarde, M.D.Harrison, S.Echt, M.Fischer, A.Messerschmidt, C.Dennison. Crystal Structures of Oxidized and Reduced Stellacyanin From Horseradish Roots J.Am.Chem.Soc. V. 127 158 2005.
ISSN: ISSN 0002-7863
PubMed: 15631465
DOI: 10.1021/JA046184P
Page generated: Wed Oct 28 14:18:09 2020
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