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Zinc in PDB 2xnj: Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli

Enzymatic activity of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli

All present enzymatic activity of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli:
1.18.1.2;

Protein crystallography data

The structure of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli, PDB code: 2xnj was solved by H.Botti, M.A.Musumeci, E.A.Ceccarelli, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.82 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 186.883, 74.580, 44.421, 90.00, 101.86, 90.00
R / Rfree (%) 18.8 / 22.4

Other elements in 2xnj:

The structure of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli also contains other interesting chemical elements:

Sodium (Na) 1 atom

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli (pdb code 2xnj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli, PDB code: 2xnj:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 2xnj

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Zinc binding site 1 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1261

b:36.9
occ:1.00
 O A:HOH2207 1.9 36.6 1.0
O A:HOH2206 2.1 31.7 1.0
OD1 A:ASP75 2.1 39.8 1.0
OD2 A:ASP75 2.6 50.6 1.0
CG A:ASP75 2.7 42.1 1.0
O A:HOH2205 3.4 47.8 1.0
O A:HOH2062 4.2 39.5 1.0
CB A:ASP75 4.2 31.5 1.0
O A:HOH2067 4.2 39.9 1.0
O A:HOH2066 4.3 31.8 1.0
CA A:ASP75 5.0 29.2 1.0

Zinc binding site 2 out of 12 in 2xnj

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Zinc binding site 2 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1262

b:40.2
occ:0.70
 OE1 A:GLU116 1.9 54.8 1.0
NE2 A:HIS114 2.8 47.0 1.0
CD A:GLU116 2.8 59.4 1.0
OE2 A:GLU116 3.1 55.1 1.0
CE1 A:HIS114 3.3 46.6 1.0
O A:HOH2100 4.0 41.8 1.0
CD2 A:HIS114 4.0 46.6 1.0
CG A:GLU116 4.2 40.8 1.0
O A:CYS115 4.5 27.8 1.0
ND1 A:HIS114 4.5 46.5 1.0
CA A:GLU116 4.6 20.1 1.0
C A:CYS115 4.7 27.2 1.0
N A:GLU116 4.8 20.4 1.0
CG A:HIS114 4.9 44.0 1.0
CB A:GLU116 5.0 22.0 1.0

Zinc binding site 3 out of 12 in 2xnj

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Zinc binding site 3 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1263

b:27.0
occ:0.50
 OD1 A:ASP62 1.9 35.2 1.0
O A:HOH2208 2.0 30.0 1.0
NE2 A:HIS25 2.0 27.0 1.0
OD1 B:ASP3 2.0 48.1 1.0
OD2 B:ASP3 2.3 37.6 1.0
CG B:ASP3 2.4 43.4 1.0
CE1 A:HIS25 2.7 28.0 1.0
CG A:ASP62 3.0 33.6 1.0
CD2 A:HIS25 3.1 25.7 1.0
OD2 A:ASP62 3.5 37.8 1.0
CB B:ASP3 3.8 36.0 1.0
ND1 A:HIS25 3.8 28.4 1.0
CG A:HIS25 4.0 25.3 1.0
CB A:ASP62 4.3 23.4 1.0
CA B:ASP3 4.5 33.4 1.0
CA A:ASP62 4.5 21.1 1.0
N B:ASP3 4.7 34.1 1.0
N A:ASP62 4.7 22.6 1.0

Zinc binding site 4 out of 12 in 2xnj

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Zinc binding site 4 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1264

b:40.0
occ:0.50
 OE1 B:GLU102 2.0 34.9 1.0
ND1 A:HIS25 2.0 28.4 1.0
O A:HOH2209 2.1 35.3 1.0
CD B:GLU102 2.6 49.1 1.0
OE2 B:GLU102 2.7 32.4 1.0
CG A:HIS25 3.0 25.3 1.0
CE1 A:HIS25 3.1 28.0 1.0
CB A:HIS25 3.2 21.4 1.0
O A:HOH2023 3.9 41.0 1.0
CG B:GLU102 4.1 34.0 1.0
CD2 A:HIS25 4.1 25.7 1.0
NE2 A:HIS25 4.2 27.0 1.0
NZ A:LYS8 4.6 58.0 1.0
CD A:LYS8 4.6 28.9 1.0
CA A:HIS25 4.7 19.2 1.0
CG2 A:THR10 4.8 20.9 1.0
CE A:LYS8 4.9 47.7 1.0
CB B:GLU102 4.9 23.4 1.0

Zinc binding site 5 out of 12 in 2xnj

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Zinc binding site 5 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1265

b:37.8
occ:0.50
 OE2 A:GLU102 2.0 37.4 1.0
CD A:GLU102 2.5 47.0 1.0
OE1 A:GLU102 2.5 40.5 1.0
O A:HOH2210 3.2 36.4 1.0
CG A:GLU102 4.0 32.2 1.0
O A:HOH2037 4.6 38.2 1.0
CB A:GLU102 4.8 22.1 1.0

Zinc binding site 6 out of 12 in 2xnj

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Zinc binding site 6 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1266

b:0.5
occ:1.00
 OD2 A:ASP141 2.0 50.1 1.0
CG A:ASP141 3.1 44.2 1.0
OD1 A:ASP141 3.5 43.2 1.0
OD1 A:ASP139 4.2 40.4 1.0
CB A:ASP141 4.4 34.9 1.0
O A:HOH2109 4.6 46.0 1.0

Zinc binding site 7 out of 12 in 2xnj

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Zinc binding site 7 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1262

b:38.9
occ:1.00
 O B:HOH2195 2.0 41.8 1.0
O B:HOH2196 2.0 48.9 1.0
OD1 B:ASP75 2.1 43.0 1.0
OD2 B:ASP75 2.6 52.7 1.0
CG B:ASP75 2.7 43.6 1.0
O B:HOH2064 4.1 43.3 1.0
CB B:ASP75 4.2 30.0 1.0
O B:HOH2069 4.3 34.8 1.0
CA B:ASP75 5.0 27.5 1.0

Zinc binding site 8 out of 12 in 2xnj

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Zinc binding site 8 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1263

b:28.8
occ:0.50
 OD1 B:ASP62 1.9 32.2 1.0
NE2 B:HIS25 2.0 28.2 1.0
O B:HOH2197 2.0 37.7 1.0
CE1 B:HIS25 2.7 29.1 1.0
CG B:ASP62 3.0 34.2 1.0
CD2 B:HIS25 3.1 27.4 1.0
OD2 B:ASP62 3.5 47.1 1.0
ND1 B:HIS25 3.9 29.3 1.0
CG B:HIS25 4.0 25.8 1.0
CB B:ASP62 4.3 24.8 1.0
CA B:ASP62 4.5 22.0 1.0
N B:ASP62 4.7 22.9 1.0

Zinc binding site 9 out of 12 in 2xnj

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Zinc binding site 9 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1264

b:86.2
occ:1.00
 NE2 B:HIS243 2.1 67.0 1.0
OE1 B:GLU111 2.1 42.6 1.0
CE1 B:HIS243 2.8 65.5 1.0
CD B:GLU111 3.3 56.5 1.0
CD2 B:HIS243 3.3 67.4 1.0
OE2 B:GLU111 3.9 55.5 1.0
ND1 B:HIS243 4.0 65.4 1.0
CG B:HIS243 4.3 64.5 1.0
CG B:GLU111 4.5 33.9 1.0
CB B:GLU111 4.6 24.6 1.0
O B:GLU111 4.8 27.8 1.0
CA B:GLU111 4.9 23.9 1.0

Zinc binding site 10 out of 12 in 2xnj

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Zinc binding site 10 out of 12 in the Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of An Engineered Ferredoxin(Flavodoxin) Nadp(H) Reductase (Fpr) From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1265

b:74.9
occ:1.00
 O B:HOH2198 2.0 41.0 1.0
OE2 B:GLU199 2.1 58.3 1.0
CD B:GLU199 3.0 48.0 1.0
OE1 B:GLU199 3.2 32.1 1.0
CG B:GLU199 4.4 28.7 1.0
CD1 B:LEU233 4.6 27.1 1.0
O B:HOH2165 4.6 49.9 0.5
CG2 B:THR237 4.7 28.4 1.0

Reference:

M.A.Musumeci, H.Botti, A.Buschiazzo, E.A.Ceccarelli. Swapping Fad Binding Motifs Between Plastidic and Bacterial Ferredoxin-Nadp(H) Reductases. Biochemistry V. 50 2111 2011.
ISSN: ISSN 0006-2960
PubMed: 21306142
DOI: 10.1021/BI101772A
Page generated: Thu Oct 17 05:22:53 2024

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