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Copper in PDB 1juh: Crystal Structure of Quercetin 2,3-Dioxygenase

Enzymatic activity of Crystal Structure of Quercetin 2,3-Dioxygenase

All present enzymatic activity of Crystal Structure of Quercetin 2,3-Dioxygenase:
1.13.11.24;

Protein crystallography data

The structure of Crystal Structure of Quercetin 2,3-Dioxygenase, PDB code: 1juh was solved by F.Fusetti, K.H.Schroeter, R.A.Steiner, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.20 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 108.550, 55.780, 123.680, 90.00, 98.31, 90.00
R / Rfree (%) 16.2 / 18.9

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of Quercetin 2,3-Dioxygenase (pdb code 1juh). 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 Quercetin 2,3-Dioxygenase, PDB code: 1juh:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1juh

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Copper binding site 1 out of 4 in the Crystal Structure of Quercetin 2,3-Dioxygenase


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 Quercetin 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu401

b:16.5
occ:1.00
 NE2 A:HIS68 2.1 15.3 1.0
NE2 A:HIS112 2.1 14.4 1.0
NE2 A:HIS66 2.2 16.1 1.0
OE1 A:GLU73 2.2 25.4 0.5
O A:HOH2339 2.2 12.5 0.5
O A:HOH2339 2.6 25.9 0.5
CE1 A:HIS112 3.0 15.0 1.0
CD2 A:HIS68 3.0 13.3 1.0
CE1 A:HIS68 3.0 13.6 1.0
CE1 A:HIS66 3.1 15.9 1.0
CD2 A:HIS66 3.1 16.6 1.0
CD2 A:HIS112 3.1 14.7 1.0
CD A:GLU73 3.2 22.9 0.5
OE2 A:GLU73 3.7 24.2 0.5
O1 A:EDO2009 3.9 45.2 1.0
CG A:GLU73 3.9 15.2 0.5
C1 A:EDO2009 4.0 39.4 1.0
ND1 A:HIS68 4.1 16.7 1.0
ND1 A:HIS112 4.1 12.3 1.0
OE2 A:GLU73 4.1 19.1 0.5
CG A:HIS68 4.1 14.6 1.0
ND1 A:HIS66 4.2 15.4 1.0
CG A:HIS112 4.2 12.5 1.0
CG A:HIS66 4.2 14.9 1.0
CD A:GLU73 4.5 16.6 0.5
CG A:GLU73 4.5 20.1 0.5
CB A:GLU73 4.7 16.8 0.5
CB A:GLU73 4.7 15.1 0.5
C2 A:EDO2009 4.8 39.9 1.0

Copper binding site 2 out of 4 in 1juh

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Copper binding site 2 out of 4 in the Crystal Structure of Quercetin 2,3-Dioxygenase


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 Quercetin 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu402

b:17.3
occ:1.00
 OE1 B:GLU73 2.1 24.3 0.5
NE2 B:HIS112 2.1 16.0 1.0
NE2 B:HIS68 2.1 16.2 1.0
O B:HOH2317 2.2 17.9 0.5
NE2 B:HIS66 2.2 18.3 1.0
O B:HOH2317 2.3 22.6 0.5
CE1 B:HIS112 3.0 18.6 1.0
CD2 B:HIS68 3.0 17.7 1.0
CE1 B:HIS68 3.0 16.8 1.0
CD2 B:HIS112 3.1 14.7 1.0
CD2 B:HIS66 3.1 16.8 1.0
CD B:GLU73 3.2 22.2 0.5
CE1 B:HIS66 3.2 15.4 1.0
OE2 B:GLU73 3.6 22.4 0.5
CG B:GLU73 3.8 17.2 0.5
OE2 B:GLU73 4.0 15.4 0.5
ND1 B:HIS112 4.1 16.4 1.0
ND1 B:HIS68 4.1 16.6 1.0
CG B:HIS68 4.1 16.9 1.0
CG B:HIS112 4.2 14.6 1.0
O B:HOH2449 4.2 38.7 1.0
ND1 B:HIS66 4.2 17.4 1.0
CG B:HIS66 4.3 16.3 1.0
CD B:GLU73 4.4 16.7 0.5
CG B:GLU73 4.4 20.0 0.5
CB B:GLU73 4.6 17.9 0.5
CB B:GLU73 4.6 16.9 0.5
CZ B:PHE132 4.8 34.0 1.0
CZ B:PHE75 4.9 18.9 1.0

Copper binding site 3 out of 4 in 1juh

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Copper binding site 3 out of 4 in the Crystal Structure of Quercetin 2,3-Dioxygenase


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 Quercetin 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu403

b:18.9
occ:1.00
 OE1 C:GLU73 2.1 25.8 0.5
NE2 C:HIS68 2.1 18.5 1.0
NE2 C:HIS112 2.1 16.7 1.0
NE2 C:HIS66 2.2 19.3 1.0
O C:HOH2321 2.2 19.2 0.5
O C:HOH2321 2.2 25.3 0.5
CE1 C:HIS112 3.0 17.8 1.0
CD2 C:HIS68 3.0 19.3 1.0
CE1 C:HIS68 3.1 19.9 1.0
CE1 C:HIS66 3.1 19.1 1.0
CD2 C:HIS66 3.1 18.2 1.0
CD C:GLU73 3.2 25.2 0.5
CD2 C:HIS112 3.2 15.1 1.0
OE2 C:GLU73 3.6 22.7 0.5
CG C:GLU73 3.9 15.5 0.5
OE2 C:GLU73 4.1 18.3 0.5
ND1 C:HIS112 4.1 15.9 1.0
CG C:HIS68 4.1 19.1 1.0
ND1 C:HIS68 4.1 16.9 1.0
ND1 C:HIS66 4.2 19.1 1.0
CG C:HIS112 4.2 15.7 1.0
CG C:HIS66 4.2 16.9 1.0
O C:HOH2289 4.3 33.8 1.0
CG C:GLU73 4.5 21.3 0.5
CD C:GLU73 4.5 16.6 0.5
CZ C:PHE132 4.6 28.6 1.0
CB C:GLU73 4.6 20.0 0.5
CB C:GLU73 4.7 17.7 0.5
CZ C:PHE75 4.9 18.2 1.0

Copper binding site 4 out of 4 in 1juh

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Copper binding site 4 out of 4 in the Crystal Structure of Quercetin 2,3-Dioxygenase


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 Quercetin 2,3-Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu404

b:17.6
occ:1.00
 OE1 D:GLU73 2.0 28.5 0.5
NE2 D:HIS68 2.1 19.8 1.0
NE2 D:HIS112 2.1 18.3 1.0
NE2 D:HIS66 2.1 18.7 1.0
O D:HOH2318 2.2 12.6 0.5
O D:HOH2318 2.9 25.7 0.5
CD2 D:HIS68 3.0 19.2 1.0
CE1 D:HIS112 3.0 17.9 1.0
CD D:GLU73 3.0 27.6 0.5
CE1 D:HIS68 3.1 18.6 1.0
CE1 D:HIS66 3.1 19.2 1.0
CD2 D:HIS66 3.1 15.6 1.0
CD2 D:HIS112 3.2 15.8 1.0
OE2 D:GLU73 3.3 28.7 0.5
O D:HOH2419 3.7 39.4 1.0
CG D:GLU73 3.8 17.6 0.5
CG D:HIS68 4.1 20.4 1.0
OE2 D:GLU73 4.1 19.5 0.5
ND1 D:HIS68 4.1 19.4 1.0
ND1 D:HIS112 4.1 13.5 1.0
ND1 D:HIS66 4.2 20.0 1.0
CG D:HIS66 4.2 16.5 1.0
CG D:HIS112 4.3 14.7 1.0
CG D:GLU73 4.4 25.1 0.5
CD D:GLU73 4.4 18.1 0.5
O D:HOH2332 4.4 44.7 1.0
CB D:GLU73 4.7 20.1 0.5
CB D:GLU73 4.7 16.7 0.5

Reference:

F.Fusetti, K.H.Schroter, R.A.Steiner, P.I.Van Noort, T.Pijning, H.J.Rozeboom, K.H.Kalk, M.R.Egmond, B.W.Dijkstra. Crystal Structure of the Copper-Containing Quercetin 2,3-Dioxygenase From Aspergillus Japonicus. Structure V. 10 259 2002.
ISSN: ISSN 0969-2126
PubMed: 11839311
DOI: 10.1016/S0969-2126(02)00704-9
Page generated: Wed Oct 28 14:15:08 2020
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