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Copper in PDB 6qwg: Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature

Enzymatic activity of Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature

All present enzymatic activity of Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature:
1.7.2.1;

Protein crystallography data

The structure of Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature, PDB code: 6qwg was solved by A.E.Ebrahim, T.Moreno-Chicano, M.V.Appleby, J.W.Worrall, H.M.E.Duyvesteyn, R.W.Strange, J.Beale, D.Axford, D.A.Sherrell, H.Sugimoto, S.Owada, K.Tono, R.L.Owen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.65 / 1.90
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 97.600, 97.600, 97.600, 90.00, 90.00, 90.00
R / Rfree (%) 13.7 / 17.2

Copper Binding Sites:

The binding sites of Copper atom in the Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature (pdb code 6qwg). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature, PDB code: 6qwg:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 6qwg

Go back to Copper Binding Sites List in 6qwg
Copper binding site 1 out of 2 in the Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu402

b:35.1
occ:1.00
ND1 A:HIS145 2.1 31.4 1.0
ND1 A:HIS95 2.1 31.3 1.0
SG A:CYS136 2.2 33.2 1.0
SD A:MET150 2.5 32.6 1.0
CE1 A:HIS145 3.0 35.8 1.0
CE1 A:HIS95 3.0 34.9 1.0
CG A:HIS145 3.1 33.9 1.0
CG A:HIS95 3.2 31.9 1.0
CB A:CYS136 3.2 32.1 1.0
CE A:MET150 3.4 30.2 1.0
CB A:HIS95 3.5 32.2 1.0
CB A:HIS145 3.5 32.0 1.0
CA A:HIS95 3.9 29.9 1.0
CG A:MET150 3.9 34.0 1.0
NE2 A:HIS145 4.1 36.4 1.0
NE2 A:HIS95 4.2 32.2 1.0
O A:LEU94 4.2 34.6 1.0
CD2 A:HIS145 4.2 34.0 1.0
CD2 A:HIS95 4.3 27.3 1.0
CG A:PRO138 4.3 32.2 1.0
CB A:MET150 4.4 27.4 1.0
SD A:MET62 4.6 35.2 1.0
CA A:CYS136 4.6 27.4 1.0
N A:ASN96 4.6 29.7 1.0
CA A:HIS145 4.7 30.3 1.0
CD A:PRO138 4.7 33.3 1.0
CB A:MET62 4.8 33.9 1.0
C A:HIS95 4.8 31.1 1.0
N A:HIS95 4.9 32.3 1.0
C A:LEU94 5.0 34.5 1.0

Copper binding site 2 out of 2 in 6qwg

Go back to Copper Binding Sites List in 6qwg
Copper binding site 2 out of 2 in the Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase From Achromobacter Cycloclastes: Nitrite Complex at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu403

b:32.8
occ:1.00
NE2 A:HIS100 2.0 29.0 1.0
NE2 A:HIS135 2.1 28.6 1.0
CE1 A:HIS100 3.0 30.2 1.0
CD2 A:HIS100 3.1 30.0 1.0
CE1 A:HIS135 3.1 33.8 1.0
CD2 A:HIS135 3.1 30.9 1.0
ND1 A:HIS100 4.1 28.2 1.0
OD2 A:ASP98 4.1 44.5 1.0
CG A:HIS100 4.2 27.0 1.0
ND1 A:HIS135 4.2 31.4 1.0
CG A:HIS135 4.2 32.1 1.0
CG A:ASP98 4.6 43.1 1.0
OD1 A:ASP98 4.8 35.8 1.0

Reference:

T.Moreno-Chicano, A.Ebrahim, D.Axford, M.V.Appleby, J.H.Beale, A.K.Chaplin, H.M.E.Duyvesteyn, R.A.Ghiladi, S.Owada, D.A.Sherrell, R.W.Strange, H.Sugimoto, K.Tono, J.A.R.Worrall, R.L.Owen, M.A.Hough. High-Throughput Structures of Protein-Ligand Complexes at Room Temperature Using Serial Femtosecond Crystallography. Iucrj V. 6 1074 2019.
ISSN: ESSN 2052-2525
PubMed: 31709063
DOI: 10.1107/S2052252519011655
Page generated: Sun Dec 13 11:25:08 2020

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