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Copper in PDB 2ppe: Reduced H145A Mutant of Afnir Exposed to No

Enzymatic activity of Reduced H145A Mutant of Afnir Exposed to No

All present enzymatic activity of Reduced H145A Mutant of Afnir Exposed to No:
1.7.2.1;

Protein crystallography data

The structure of Reduced H145A Mutant of Afnir Exposed to No, PDB code: 2ppe was solved by E.I.Tocheva, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.62 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.079, 101.890, 145.670, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 19.6

Copper Binding Sites:

The binding sites of Copper atom in the Reduced H145A Mutant of Afnir Exposed to No (pdb code 2ppe). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Reduced H145A Mutant of Afnir Exposed to No, PDB code: 2ppe:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in 2ppe

Go back to Copper Binding Sites List in 2ppe
Copper binding site 1 out of 6 in the Reduced H145A Mutant of Afnir Exposed to No


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Reduced H145A Mutant of Afnir Exposed to No within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu501

b:21.3
occ:1.00
 ND1 A:HIS95 2.0 16.6 1.0
SG A:CYS136 2.3 17.1 1.0
SD A:MET150 2.4 18.2 1.0
CG A:HIS95 2.9 15.8 1.0
CE A:MET150 3.0 18.6 1.0
CE1 A:HIS95 3.0 16.2 1.0
CB A:CYS136 3.1 16.4 1.0
CB A:HIS95 3.2 14.9 1.0
CA A:HIS95 3.6 15.4 1.0
CG A:MET150 3.8 16.2 1.0
CD2 A:HIS95 4.1 14.8 1.0
NE2 A:HIS95 4.1 15.5 1.0
N A:ASN96 4.3 15.3 1.0
O A:MET94 4.3 16.6 1.0
CB A:ALA145 4.4 15.3 1.0
CB A:MET150 4.4 15.5 1.0
SD A:MET62 4.5 21.2 1.0
C A:HIS95 4.5 15.0 1.0
CA A:CYS136 4.6 15.7 1.0
CG A:PRO138 4.6 17.4 1.0
N A:HIS95 4.7 16.1 1.0
CB A:MET62 4.8 18.6 1.0
O A:ASN96 4.8 15.6 1.0
C A:MET94 4.9 16.4 1.0

Copper binding site 2 out of 6 in 2ppe

Go back to Copper Binding Sites List in 2ppe
Copper binding site 2 out of 6 in the Reduced H145A Mutant of Afnir Exposed to No


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Reduced H145A Mutant of Afnir Exposed to No within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu502

b:15.6
occ:1.00
 NE2 B:HIS306 2.0 12.5 1.0
NE2 A:HIS135 2.0 14.5 1.0
NE2 A:HIS100 2.0 13.4 1.0
O A:HOH503 2.0 32.6 1.0
O B:HOH1504 2.2 23.0 1.0
CE1 A:HIS100 2.9 14.4 1.0
CE1 B:HIS306 3.0 13.8 1.0
CD2 A:HIS135 3.0 15.2 1.0
CE1 A:HIS135 3.0 13.5 1.0
CD2 B:HIS306 3.0 11.1 1.0
CD2 A:HIS100 3.1 15.7 1.0
OD1 A:ASP98 3.7 22.8 1.0
NE2 B:HIS255 4.0 15.6 1.0
ND1 A:HIS100 4.1 12.7 1.0
ND1 B:HIS306 4.1 13.2 1.0
ND1 A:HIS135 4.1 13.1 1.0
CG A:HIS135 4.1 14.3 1.0
CG B:HIS306 4.2 13.1 1.0
CG A:HIS100 4.2 13.3 1.0
CE1 B:HIS255 4.3 15.3 1.0
O A:HOH791 4.3 39.5 1.0
CG A:ASP98 4.3 18.4 1.0
CD2 B:HIS255 4.4 16.6 1.0
OD2 A:ASP98 4.8 19.5 1.0
ND1 B:HIS255 4.8 16.6 1.0
O B:HOH1710 4.8 18.3 1.0
CG B:HIS255 4.9 14.6 1.0
CD2 B:LEU308 4.9 15.9 1.0

Copper binding site 3 out of 6 in 2ppe

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Copper binding site 3 out of 6 in the Reduced H145A Mutant of Afnir Exposed to No


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Reduced H145A Mutant of Afnir Exposed to No within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu501

b:23.2
occ:1.00
 ND1 B:HIS95 2.0 18.6 1.0
SG B:CYS136 2.3 19.9 1.0
SD B:MET150 2.4 19.4 1.0
CG B:HIS95 3.0 20.0 1.0
CE B:MET150 3.0 18.8 1.0
CE1 B:HIS95 3.0 20.7 1.0
CB B:CYS136 3.1 18.9 1.0
CB B:HIS95 3.2 20.4 1.0
CA B:HIS95 3.6 20.3 1.0
CG B:MET150 3.9 18.2 1.0
CD2 B:HIS95 4.1 20.0 1.0
NE2 B:HIS95 4.1 18.0 1.0
CB B:ALA145 4.3 18.3 1.0
N B:ASN96 4.3 19.3 1.0
O B:MET94 4.3 21.2 1.0
CG B:PRO138 4.4 20.5 1.0
CB B:MET150 4.5 17.1 1.0
SD B:MET62 4.5 22.3 1.0
CA B:CYS136 4.5 18.6 1.0
C B:HIS95 4.6 20.1 1.0
N B:HIS95 4.7 20.8 1.0
O B:ASN96 4.8 18.5 1.0
CB B:MET62 4.9 19.3 1.0
CD B:PRO138 4.9 20.4 1.0
C B:MET94 5.0 21.1 1.0

Copper binding site 4 out of 6 in 2ppe

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Copper binding site 4 out of 6 in the Reduced H145A Mutant of Afnir Exposed to No


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Reduced H145A Mutant of Afnir Exposed to No within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu502

b:19.5
occ:1.00
 O B:NO503 1.9 21.3 1.0
N B:NO503 2.0 22.1 1.0
NE2 B:HIS135 2.0 17.9 1.0
NE2 B:HIS100 2.0 18.4 1.0
NE2 C:HIS306 2.0 17.3 1.0
CE1 B:HIS100 2.9 17.9 1.0
CE1 C:HIS306 2.9 17.7 1.0
CD2 B:HIS135 3.0 15.6 1.0
CE1 B:HIS135 3.0 18.5 1.0
CD2 C:HIS306 3.1 16.8 1.0
CD2 B:HIS100 3.1 18.8 1.0
OD1 B:ASP98 3.6 26.8 1.0
ND1 B:HIS100 4.0 17.9 1.0
ND1 C:HIS306 4.1 17.9 1.0
NE2 C:HIS255 4.1 19.5 1.0
ND1 B:HIS135 4.1 16.1 1.0
CG B:HIS135 4.1 17.7 1.0
CG B:HIS100 4.2 18.3 1.0
CG C:HIS306 4.2 17.2 1.0
CE1 C:HIS255 4.3 20.2 1.0
CG B:ASP98 4.4 23.1 1.0
CD2 C:HIS255 4.5 20.1 1.0
O B:HOH1767 4.6 41.2 1.0
ND1 C:HIS255 4.8 19.9 1.0
O C:HOH1688 4.8 23.0 1.0
OD2 B:ASP98 4.9 24.2 1.0
CG C:HIS255 4.9 18.0 1.0
CD2 C:LEU308 4.9 18.3 1.0

Copper binding site 5 out of 6 in 2ppe

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Copper binding site 5 out of 6 in the Reduced H145A Mutant of Afnir Exposed to No


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Reduced H145A Mutant of Afnir Exposed to No within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu501

b:31.8
occ:1.00
 ND1 C:HIS95 2.0 27.0 1.0
SG C:CYS136 2.3 26.3 1.0
SD C:MET150 2.3 27.8 1.0
CE C:MET150 2.9 26.0 1.0
CG C:HIS95 3.0 27.6 1.0
CE1 C:HIS95 3.1 28.1 1.0
CB C:CYS136 3.2 25.0 1.0
CB C:HIS95 3.3 28.2 1.0
CA C:HIS95 3.6 28.5 1.0
CG C:MET150 3.8 25.8 1.0
CD2 C:HIS95 4.1 27.1 1.0
NE2 C:HIS95 4.1 27.0 1.0
O C:MET94 4.3 31.1 1.0
N C:ASN96 4.4 27.1 1.0
CB C:ALA145 4.4 22.4 1.0
CB C:MET150 4.4 24.5 1.0
CG C:PRO138 4.5 28.1 1.0
C C:HIS95 4.6 27.9 1.0
SD C:MET62 4.6 30.8 1.0
CA C:CYS136 4.6 24.9 1.0
N C:HIS95 4.7 29.6 1.0
O C:ASN96 4.8 26.0 1.0
CB C:MET62 4.8 30.2 1.0
C C:MET94 4.9 30.7 1.0
CD C:PRO138 4.9 27.2 1.0

Copper binding site 6 out of 6 in 2ppe

Go back to Copper Binding Sites List in 2ppe
Copper binding site 6 out of 6 in the Reduced H145A Mutant of Afnir Exposed to No


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Reduced H145A Mutant of Afnir Exposed to No within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu502

b:21.6
occ:1.00
 O A:HOH504 2.0 26.3 1.0
NE2 C:HIS100 2.0 18.9 1.0
NE2 C:HIS135 2.0 19.4 1.0
NE2 A:HIS306 2.0 19.8 1.0
CE1 C:HIS100 2.9 19.9 1.0
CE1 A:HIS306 2.9 20.6 1.0
CD2 C:HIS135 3.0 18.9 1.0
CE1 C:HIS135 3.0 19.8 1.0
CD2 C:HIS100 3.1 19.9 1.0
CD2 A:HIS306 3.1 19.5 1.0
OD1 C:ASP98 3.5 30.2 1.0
ND1 C:HIS100 4.0 18.8 1.0
NE2 A:HIS255 4.0 21.8 1.0
ND1 A:HIS306 4.1 18.7 1.0
ND1 C:HIS135 4.1 19.6 1.0
CG C:HIS135 4.1 21.3 1.0
CG C:HIS100 4.2 18.7 1.0
CG A:HIS306 4.2 18.8 1.0
CE1 A:HIS255 4.3 20.3 1.0
CG C:ASP98 4.3 26.7 1.0
CD2 A:HIS255 4.4 20.3 1.0
ND1 A:HIS255 4.8 18.6 1.0
OD2 C:ASP98 4.8 27.2 1.0
CG A:HIS255 4.9 18.0 1.0
CD2 A:LEU308 4.9 18.4 1.0

Reference:

E.I.Tocheva, F.I.Rosell, A.G.Mauk, M.E.Murphy. Stable Copper-Nitrosyl Formation By Nitrite Reductase in Either Oxidation State Biochemistry V. 46 12366 2007.
ISSN: ISSN 0006-2960
PubMed: 17924665
DOI: 10.1021/BI701205J
Page generated: Tue Jul 30 23:55:48 2024

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