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Copper in PDB 2jfc: M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121

Enzymatic activity of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121

All present enzymatic activity of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121:
1.7.2.1;

Protein crystallography data

The structure of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121, PDB code: 2jfc was solved by K.Paraskevopoulos, M.A.Hough, R.G.Sawers, R.R.Eady, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.70 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 171.958, 175.910, 181.056, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 19.3

Other elements in 2jfc:

The structure of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Copper Binding Sites:

Pages:

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

Binding sites:

The binding sites of Copper atom in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 (pdb code 2jfc). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 12 binding sites of Copper where determined in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121, PDB code: 2jfc:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 12 in 2jfc

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Copper binding site 1 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu1337

b:43.2
occ:0.75
 ND1 A:HIS89 2.0 44.8 1.0
ND1 A:HIS139 2.1 46.6 1.0
SG A:CYS130 2.1 48.1 1.0
CE1 A:HIS89 3.0 44.8 1.0
CE1 A:HIS139 3.0 46.2 1.0
CD1 A:LEU144 3.0 44.5 1.0
CG A:HIS89 3.1 45.6 1.0
CG A:HIS139 3.2 46.1 1.0
CB A:CYS130 3.3 47.8 1.0
CB A:HIS89 3.5 45.7 1.0
CB A:HIS139 3.6 45.9 1.0
CA A:HIS89 3.7 45.9 1.0
CG A:PRO132 3.7 50.6 1.0
O A:PRO88 3.8 46.8 1.0
NE2 A:HIS89 4.1 43.8 1.0
NE2 A:HIS139 4.1 45.7 1.0
CD2 A:HIS89 4.2 44.6 1.0
CD A:PRO132 4.2 50.6 1.0
CD2 A:HIS139 4.2 45.6 1.0
CG A:LEU144 4.5 45.9 1.0
N A:ASN90 4.6 45.7 1.0
C A:PRO88 4.6 46.6 1.0
N A:HIS89 4.6 46.4 1.0
SD A:MET56 4.6 46.6 1.0
CA A:CYS130 4.7 47.9 1.0
C A:HIS89 4.7 45.8 1.0
CA A:HIS139 4.8 46.1 1.0
CB A:PRO132 4.8 50.7 1.0

Copper binding site 2 out of 12 in 2jfc

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Copper binding site 2 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu1338

b:41.5
occ:0.75
 NE2 A:HIS129 2.0 45.0 1.0
NE2 E:HIS300 2.1 42.3 1.0
O A:HOH2077 2.1 42.7 1.0
NE2 A:HIS94 2.1 43.4 1.0
CE1 A:HIS94 2.9 44.1 1.0
CD2 A:HIS129 3.0 44.7 1.0
CE1 E:HIS300 3.0 41.5 1.0
CE1 A:HIS129 3.0 44.7 1.0
CD2 E:HIS300 3.1 41.6 1.0
CD2 A:HIS94 3.2 44.1 1.0
OD2 A:ASP92 3.8 52.4 1.0
ND1 A:HIS129 4.1 45.3 1.0
ND1 A:HIS94 4.1 43.0 1.0
CG A:HIS129 4.1 45.0 1.0
NE2 E:HIS249 4.2 48.2 1.0
ND1 E:HIS300 4.2 42.7 1.0
CG E:HIS300 4.2 44.4 1.0
CG A:HIS94 4.3 44.4 1.0
CG A:ASP92 4.4 49.1 1.0
CE1 E:HIS249 4.4 48.2 1.0
CD2 E:HIS249 4.5 46.9 1.0
OD1 A:ASP92 4.8 50.0 1.0
ND1 E:HIS249 4.9 47.8 1.0
CD2 E:LEU302 4.9 43.2 1.0
CG E:HIS249 5.0 47.2 1.0

Copper binding site 3 out of 12 in 2jfc

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Copper binding site 3 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu1337

b:42.4
occ:0.75
 ND1 B:HIS139 2.0 45.9 1.0
ND1 B:HIS89 2.0 43.1 1.0
SG B:CYS130 2.1 48.1 1.0
CE1 B:HIS139 2.8 46.2 1.0
CE1 B:HIS89 3.0 41.8 1.0
CD1 B:LEU144 3.0 44.6 1.0
CG B:HIS89 3.1 43.8 1.0
CG B:HIS139 3.1 46.6 1.0
CB B:CYS130 3.3 47.9 1.0
CB B:HIS89 3.5 44.9 1.0
CA B:HIS89 3.6 45.2 1.0
CB B:HIS139 3.6 46.7 1.0
O B:PRO88 3.7 45.8 1.0
NE2 B:HIS139 4.0 45.8 1.0
CG B:PRO132 4.0 51.5 1.0
NE2 B:HIS89 4.1 41.8 1.0
CD2 B:HIS139 4.1 45.3 1.0
CD2 B:HIS89 4.2 42.5 1.0
CD B:PRO132 4.4 51.3 1.0
CG B:LEU144 4.4 45.9 1.0
N B:ASN90 4.5 45.8 1.0
C B:PRO88 4.5 45.3 1.0
N B:HIS89 4.6 45.4 1.0
SD B:MET56 4.6 47.3 1.0
C B:HIS89 4.6 45.5 1.0
CA B:CYS130 4.7 48.0 1.0
CA B:HIS139 4.9 46.7 1.0
CD2 B:LEU144 4.9 44.3 1.0

Copper binding site 4 out of 12 in 2jfc

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Copper binding site 4 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu1338

b:41.4
occ:0.75
 NE2 B:HIS129 2.0 47.2 1.0
NE2 F:HIS300 2.1 41.4 1.0
NE2 B:HIS94 2.1 44.9 1.0
O B:HOH2076 2.2 36.7 1.0
CE1 B:HIS94 2.9 46.0 1.0
CE1 F:HIS300 3.0 41.9 1.0
CD2 B:HIS129 3.0 47.1 1.0
CE1 B:HIS129 3.1 47.2 1.0
CD2 F:HIS300 3.1 41.9 1.0
CD2 B:HIS94 3.2 45.5 1.0
OD2 B:ASP92 3.9 52.8 1.0
ND1 B:HIS94 4.1 45.7 1.0
NE2 F:HIS249 4.1 47.3 1.0
ND1 F:HIS300 4.1 42.9 1.0
CG B:HIS129 4.1 46.7 1.0
ND1 B:HIS129 4.2 47.3 1.0
CG F:HIS300 4.2 42.9 1.0
CG B:HIS94 4.2 46.4 1.0
CE1 F:HIS249 4.4 47.4 1.0
CG B:ASP92 4.4 50.1 1.0
CD2 F:HIS249 4.5 47.0 1.0
OD1 B:ASP92 4.7 51.3 1.0
O B:HOH2077 4.9 44.6 1.0
ND1 F:HIS249 5.0 47.5 1.0
CD2 F:LEU302 5.0 41.6 1.0
CG F:HIS249 5.0 46.7 1.0

Copper binding site 5 out of 12 in 2jfc

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Copper binding site 5 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu1337

b:40.3
occ:0.70
 ND1 C:HIS139 2.0 45.2 1.0
SG C:CYS130 2.1 45.4 1.0
ND1 C:HIS89 2.1 44.0 1.0
CE1 C:HIS139 2.9 45.2 1.0
CD1 C:LEU144 3.0 46.0 1.0
CG C:HIS139 3.1 45.9 1.0
CE1 C:HIS89 3.1 44.4 1.0
CG C:HIS89 3.1 44.3 1.0
CB C:CYS130 3.3 45.9 1.0
CB C:HIS89 3.4 43.9 1.0
CB C:HIS139 3.5 45.8 1.0
CA C:HIS89 3.6 44.2 1.0
O C:PRO88 3.8 44.4 1.0
CG C:PRO132 3.8 49.3 1.0
NE2 C:HIS139 4.0 43.3 1.0
CD2 C:HIS139 4.2 43.4 1.0
NE2 C:HIS89 4.2 44.6 1.0
CD2 C:HIS89 4.2 43.5 1.0
CD C:PRO132 4.3 48.6 1.0
CG C:LEU144 4.4 46.1 1.0
N C:ASN90 4.5 44.6 1.0
N C:HIS89 4.5 44.3 1.0
C C:PRO88 4.6 44.4 1.0
C C:HIS89 4.6 44.4 1.0
CA C:CYS130 4.7 45.9 1.0
SD C:MET56 4.7 47.2 1.0
CA C:HIS139 4.8 45.9 1.0
CD2 C:LEU144 4.9 43.3 1.0
CB C:LEU144 5.0 46.1 1.0

Copper binding site 6 out of 12 in 2jfc

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Copper binding site 6 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu1338

b:49.5
occ:1.00
 NE2 C:HIS129 2.1 45.0 1.0
NE2 B:HIS300 2.1 46.2 1.0
NE2 C:HIS94 2.1 44.2 1.0
O C:HOH2076 2.3 47.1 1.0
CE1 C:HIS94 2.9 42.9 1.0
CE1 B:HIS300 3.0 44.5 1.0
CD2 C:HIS129 3.0 44.2 1.0
CE1 C:HIS129 3.1 45.0 1.0
CD2 B:HIS300 3.1 45.1 1.0
CD2 C:HIS94 3.2 44.1 1.0
OD2 C:ASP92 3.8 53.0 1.0
NE2 B:HIS249 4.1 48.9 1.0
ND1 C:HIS94 4.1 44.4 1.0
ND1 B:HIS300 4.2 46.0 1.0
ND1 C:HIS129 4.2 45.6 1.0
CG C:HIS129 4.2 44.9 1.0
CG B:HIS300 4.2 46.1 1.0
CG C:HIS94 4.3 45.2 1.0
CD2 B:HIS249 4.4 47.8 1.0
CG C:ASP92 4.5 50.0 1.0
CE1 B:HIS249 4.5 48.4 1.0
OD1 C:ASP92 4.7 50.5 1.0
CG B:HIS249 5.0 47.1 1.0
O B:HOH2174 5.0 44.2 1.0
ND1 B:HIS249 5.0 48.2 1.0

Copper binding site 7 out of 12 in 2jfc

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Copper binding site 7 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu1337

b:42.9
occ:0.75
 ND1 D:HIS139 2.1 45.9 1.0
ND1 D:HIS89 2.1 45.2 1.0
SG D:CYS130 2.1 47.7 1.0
CE1 D:HIS139 3.0 45.4 1.0
CD1 D:LEU144 3.0 45.0 1.0
CE1 D:HIS89 3.1 45.0 1.0
CG D:HIS89 3.1 46.0 1.0
CG D:HIS139 3.2 46.2 1.0
CB D:CYS130 3.3 48.0 1.0
CB D:HIS89 3.4 45.6 1.0
CB D:HIS139 3.6 46.0 1.0
CG D:PRO132 3.6 50.2 1.0
CA D:HIS89 3.6 46.3 1.0
O D:PRO88 3.8 47.1 1.0
NE2 D:HIS139 4.1 44.5 1.0
CD D:PRO132 4.2 49.9 1.0
NE2 D:HIS89 4.2 45.7 1.0
CD2 D:HIS89 4.2 45.6 1.0
CD2 D:HIS139 4.2 44.7 1.0
CG D:LEU144 4.5 45.4 1.0
N D:HIS89 4.6 46.7 1.0
N D:ASN90 4.6 46.2 1.0
SD D:MET56 4.6 46.7 1.0
C D:PRO88 4.6 46.9 1.0
CA D:CYS130 4.6 47.9 1.0
C D:HIS89 4.7 46.3 1.0
CB D:PRO132 4.8 50.5 1.0
CA D:HIS139 4.8 46.3 1.0

Copper binding site 8 out of 12 in 2jfc

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Copper binding site 8 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu1338

b:41.1
occ:0.75
 NE2 A:HIS300 2.0 41.5 1.0
NE2 D:HIS94 2.1 44.8 1.0
NE2 D:HIS129 2.1 45.0 1.0
O D:HOH2083 2.2 41.0 1.0
CE1 D:HIS94 2.9 44.7 1.0
CE1 A:HIS300 2.9 41.3 1.0
CD2 D:HIS129 3.0 44.4 1.0
CD2 A:HIS300 3.1 41.9 1.0
CE1 D:HIS129 3.1 44.6 1.0
CD2 D:HIS94 3.2 45.6 1.0
OD2 D:ASP92 3.8 53.6 1.0
ND1 D:HIS94 4.1 44.8 1.0
ND1 A:HIS300 4.1 42.3 1.0
NE2 A:HIS249 4.1 49.8 1.0
CG D:HIS129 4.2 45.0 1.0
ND1 D:HIS129 4.2 45.0 1.0
CG A:HIS300 4.2 43.0 1.0
CG D:HIS94 4.3 45.4 1.0
CE1 A:HIS249 4.4 49.4 1.0
CG D:ASP92 4.5 50.6 1.0
CD2 A:HIS249 4.5 48.2 1.0
OD1 D:ASP92 4.7 50.3 1.0
ND1 A:HIS249 5.0 48.1 1.0
CD2 A:LEU302 5.0 40.7 1.0
O A:HOH2170 5.0 43.4 1.0

Copper binding site 9 out of 12 in 2jfc

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Copper binding site 9 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu1337

b:42.5
occ:0.75
 ND1 E:HIS139 2.0 44.1 1.0
ND1 E:HIS89 2.1 42.7 1.0
SG E:CYS130 2.1 47.0 1.0
CE1 E:HIS139 2.9 44.2 1.0
CE1 E:HIS89 3.0 42.4 1.0
CD1 E:LEU144 3.1 45.9 1.0
CG E:HIS89 3.1 43.3 1.0
CG E:HIS139 3.1 45.0 1.0
CB E:CYS130 3.3 47.1 1.0
CB E:HIS89 3.4 44.1 1.0
CB E:HIS139 3.6 45.5 1.0
CA E:HIS89 3.6 44.3 1.0
O E:PRO88 3.7 43.5 1.0
CG E:PRO132 3.8 50.4 1.0
NE2 E:HIS139 4.1 43.8 1.0
NE2 E:HIS89 4.1 41.9 1.0
CD2 E:HIS89 4.2 42.2 1.0
CD2 E:HIS139 4.2 43.7 1.0
CD E:PRO132 4.3 50.0 1.0
CG E:LEU144 4.5 46.4 1.0
C E:PRO88 4.5 43.9 1.0
N E:ASN90 4.5 45.5 1.0
N E:HIS89 4.5 43.9 1.0
C E:HIS89 4.6 44.8 1.0
SD E:MET56 4.7 46.4 1.0
CA E:CYS130 4.7 47.1 1.0
CA E:HIS139 4.8 45.9 1.0

Copper binding site 10 out of 12 in 2jfc

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Copper binding site 10 out of 12 in the M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of M144L Mutant of Nitrite Reductase From Alcaligenes Xylosoxidans in Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu1338

b:41.5
occ:0.75
 NE2 E:HIS129 2.0 44.7 1.0
NE2 E:HIS94 2.1 44.0 1.0
NE2 D:HIS300 2.1 42.8 1.0
O E:HOH2081 2.2 46.7 1.0
CE1 E:HIS94 2.9 44.8 1.0
CD2 E:HIS129 3.0 45.2 1.0
CE1 E:HIS129 3.0 44.2 1.0
CE1 D:HIS300 3.0 43.0 1.0
CD2 D:HIS300 3.1 42.5 1.0
CD2 E:HIS94 3.2 43.9 1.0
OD2 E:ASP92 3.8 52.4 1.0
NE2 D:HIS249 4.1 44.0 1.0
ND1 E:HIS94 4.1 44.0 1.0
ND1 E:HIS129 4.1 45.5 1.0
CG E:HIS129 4.1 45.5 1.0
ND1 D:HIS300 4.2 43.1 1.0
CG D:HIS300 4.3 43.7 1.0
CG E:HIS94 4.3 44.2 1.0
CD2 D:HIS249 4.4 45.4 1.0
CE1 D:HIS249 4.5 45.1 1.0
CG E:ASP92 4.5 50.1 1.0
OD1 E:ASP92 4.8 52.1 1.0
CD2 D:LEU302 4.9 43.2 1.0
ND1 D:HIS249 5.0 45.9 1.0
CG D:HIS249 5.0 45.5 1.0

Reference:

K.Paraskevopoulos, M.A.Hough, R.G.Sawers, R.R.Eady, S.S.Hasnain. The Structure of the MET144LEU Mutant of Copper Nitrite Reductase From Alcaligenes Xylosoxidans Provides the First Glimpse of A Protein-Protein Complex with Azurin II. J.Biol.Inorg.Chem. V. 12 789 2007.
ISSN: ISSN 0949-8257
PubMed: 17503096
DOI: 10.1007/S00775-007-0233-Y
Page generated: Tue Jul 30 23:45:28 2024

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