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Copper in PDB 8p3m: The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus

Protein crystallography data

The structure of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus, PDB code: 8p3m was solved by L.A.Varfolomeeva, K.M.Polyakov, A.S.Komolov, T.V.Rakitina, N.I.Dergousova, P.V.Dorovatovskii, K.M.Boyko, T.V.Tikhonova, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.12 / 2.07
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 98.15, 142.42, 294.4, 90, 90.07, 90
R / Rfree (%) 17.9 / 23.4

Other elements in 8p3m:

The structure of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Copper Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Copper atom in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus (pdb code 8p3m). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 32 binding sites of Copper where determined in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus, PDB code: 8p3m:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 32 in 8p3m

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Copper binding site 1 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu703

b:32.2
occ:1.00
NE2 A:HIS381 2.0 37.4 1.0
NE2 A:HIS206 2.1 25.8 1.0
OD2 A:ASP314 2.1 36.4 1.0
CG A:ASP314 2.8 40.4 1.0
OD1 A:ASP314 2.8 61.5 1.0
CE1 A:HIS381 3.0 35.9 1.0
CD2 A:HIS206 3.0 22.6 1.0
CE1 A:HIS206 3.0 24.0 1.0
CD2 A:HIS381 3.0 26.9 1.0
O A:HOH971 3.5 26.9 0.5
ND1 A:HIS381 4.1 27.3 1.0
ND1 A:HIS206 4.1 27.7 1.0
CG A:HIS206 4.1 24.9 1.0
CG A:HIS381 4.1 30.0 1.0
CB A:ASP314 4.2 31.6 1.0
O A:HOH882 4.3 27.0 1.0
OG1 A:THR548 4.5 34.4 1.0
CG1 A:VAL205 4.8 24.5 1.0
O A:PHE436 4.8 29.1 1.0
CE1 A:HIS437 4.8 30.2 1.0
O A:HOH941 4.9 28.1 0.5

Copper binding site 2 out of 32 in 8p3m

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Copper binding site 2 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu704

b:37.5
occ:1.00
ND1 A:HIS528 2.0 31.4 1.0
NE2 A:HIS135 2.1 33.5 1.0
O A:HOH941 2.4 28.1 0.5
CG A:HIS528 2.9 28.5 1.0
CE1 A:HIS528 3.0 25.3 1.0
CD2 A:HIS135 3.1 27.2 1.0
CE1 A:HIS135 3.1 32.0 1.0
O A:HOH981 3.2 9.9 0.5
CB A:HIS528 3.3 28.5 1.0
NZ A:LYS103 3.3 26.9 1.0
NE2 A:HIS136 3.6 20.4 1.0
OE1 A:GLU288 3.8 44.0 1.0
CD2 A:HIS528 4.0 27.6 1.0
NE2 A:HIS528 4.1 29.1 1.0
ND1 A:HIS135 4.2 20.9 1.0
CG A:HIS135 4.2 22.3 1.0
O A:HOH971 4.3 26.9 0.5
CE1 A:HIS136 4.3 22.5 1.0
OE2 A:GLU288 4.4 49.4 1.0
CD2 A:HIS136 4.4 24.6 1.0
CE A:LYS103 4.5 28.1 1.0
CD A:LYS103 4.6 21.8 1.0
CD A:GLU288 4.6 61.5 1.0
CA A:HIS528 4.8 21.6 1.0
OE1 A:GLN156 4.9 34.7 1.0
OH A:TYR164 4.9 36.9 1.0

Copper binding site 3 out of 32 in 8p3m

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Copper binding site 3 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu603

b:27.6
occ:1.00
NE2 D:HIS206 2.0 28.2 1.0
NE2 D:HIS381 2.0 24.8 1.0
OD1 D:ASP314 2.2 34.4 1.0
OD2 D:ASP314 2.2 32.3 1.0
CG D:ASP314 2.5 38.3 1.0
CD2 D:HIS206 2.9 22.8 1.0
CD2 D:HIS381 3.0 26.3 1.0
CE1 D:HIS381 3.0 35.8 1.0
CE1 D:HIS206 3.1 27.8 1.0
CG D:HIS206 4.1 26.6 1.0
CB D:ASP314 4.1 27.6 1.0
ND1 D:HIS206 4.1 33.3 1.0
ND1 D:HIS381 4.1 29.9 1.0
CG D:HIS381 4.2 33.2 1.0
OG1 D:THR548 4.4 27.2 1.0
O D:HOH867 4.5 35.7 0.5
O D:HOH744 4.6 36.6 1.0
O D:PHE436 4.8 35.2 1.0
CG1 D:VAL205 4.9 21.5 1.0

Copper binding site 4 out of 32 in 8p3m

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Copper binding site 4 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu604

b:34.9
occ:1.00
ND1 D:HIS528 2.0 21.0 1.0
NE2 D:HIS135 2.0 30.0 1.0
O D:HOH857 2.6 8.3 0.5
O D:HOH867 2.8 35.7 0.5
CE1 D:HIS528 3.0 23.7 1.0
CG D:HIS528 3.0 22.1 1.0
CD2 D:HIS135 3.0 25.3 1.0
CE1 D:HIS135 3.0 24.1 1.0
CB D:HIS528 3.4 20.5 1.0
O D:HOH892 3.4 27.3 0.5
NZ D:LYS103 3.4 25.9 1.0
NE2 D:HIS136 3.7 31.9 1.0
O D:HOH880 3.9 15.5 0.5
NE2 D:HIS528 4.1 20.8 1.0
CD2 D:HIS528 4.1 22.0 1.0
ND1 D:HIS135 4.1 25.5 1.0
CG D:HIS135 4.2 24.4 1.0
O D:HOH739 4.4 31.1 1.0
CE1 D:HIS136 4.4 24.9 1.0
CE D:LYS103 4.5 20.9 1.0
CD2 D:HIS136 4.5 26.8 1.0
CD D:LYS103 4.6 23.1 1.0
OH D:TYR164 4.7 36.8 1.0
CA D:HIS528 4.8 20.1 1.0
OE1 D:GLN156 4.9 30.6 1.0

Copper binding site 5 out of 32 in 8p3m

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Copper binding site 5 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu702

b:29.7
occ:1.00
NE2 G:HIS206 2.0 26.9 1.0
NE2 G:HIS381 2.1 33.0 1.0
OD2 G:ASP314 2.1 37.8 1.0
CG G:ASP314 2.8 35.6 1.0
OD1 G:ASP314 2.8 51.4 1.0
CE1 G:HIS206 2.9 22.6 1.0
CE1 G:HIS381 3.0 29.5 1.0
CD2 G:HIS206 3.0 19.9 1.0
CD2 G:HIS381 3.0 27.7 1.0
O G:HOH973 3.2 26.3 0.5
ND1 G:HIS206 4.1 26.7 1.0
ND1 G:HIS381 4.1 30.6 1.0
CG G:HIS206 4.1 25.5 1.0
CG G:HIS381 4.1 28.7 1.0
CB G:ASP314 4.3 31.5 1.0
OG1 G:THR548 4.3 32.0 1.0
O G:HOH840 4.6 26.4 1.0
O G:PHE436 4.8 30.3 1.0
CG1 G:VAL205 4.8 19.5 1.0
O G:HOH856 4.9 16.2 0.5
CE1 G:HIS437 4.9 38.6 1.0

Copper binding site 6 out of 32 in 8p3m

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Copper binding site 6 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu703

b:35.9
occ:1.00
ND1 G:HIS528 2.0 31.2 1.0
NE2 G:HIS135 2.1 29.3 1.0
O G:HOH957 2.2 15.2 0.5
O G:HOH856 2.5 16.2 0.5
O G:HOH974 2.8 12.5 0.5
CE1 G:HIS528 3.0 23.8 1.0
CG G:HIS528 3.0 33.7 1.0
CE1 G:HIS135 3.1 23.4 1.0
CD2 G:HIS135 3.1 26.5 1.0
CB G:HIS528 3.4 26.4 1.0
NZ G:LYS103 3.5 30.5 1.0
NE2 G:HIS136 3.8 26.0 1.0
OE1 G:GLU288 3.9 43.0 1.0
NE2 G:HIS528 4.1 25.5 1.0
CD2 G:HIS528 4.1 29.4 1.0
ND1 G:HIS135 4.2 19.9 1.0
O G:HOH863 4.2 34.9 1.0
CG G:HIS135 4.2 22.8 1.0
OE2 G:GLU288 4.3 54.2 1.0
CE1 G:HIS136 4.4 26.0 1.0
CE G:LYS103 4.4 27.5 1.0
O G:HOH973 4.5 26.3 0.5
CD G:LYS103 4.5 24.4 1.0
CD2 G:HIS136 4.6 24.8 1.0
CD G:GLU288 4.6 58.1 1.0
OH G:TYR164 4.8 38.0 1.0
OE1 G:GLN156 4.8 31.8 1.0
CA G:HIS528 4.8 20.0 1.0

Copper binding site 7 out of 32 in 8p3m

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Copper binding site 7 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cu602

b:28.3
occ:1.00
NE2 J:HIS206 2.0 21.3 1.0
NE2 J:HIS381 2.0 25.6 1.0
OD1 J:ASP314 2.1 30.8 1.0
OD2 J:ASP314 2.6 30.3 1.0
CG J:ASP314 2.7 34.6 1.0
CE1 J:HIS206 2.9 22.2 1.0
CE1 J:HIS381 2.9 29.7 1.0
CD2 J:HIS206 3.0 20.5 1.0
CD2 J:HIS381 3.1 25.8 1.0
ND1 J:HIS206 4.0 24.9 1.0
ND1 J:HIS381 4.1 25.4 1.0
CG J:HIS206 4.1 21.9 1.0
O J:HOH878 4.1 41.7 1.0
CB J:ASP314 4.2 30.1 1.0
CG J:HIS381 4.2 28.1 1.0
O J:HOH703 4.5 10.9 0.5
OG1 J:THR548 4.6 32.3 1.0
O J:PHE436 4.7 33.0 1.0
CG1 J:VAL205 4.9 16.6 1.0
O J:HOH820 4.9 42.0 1.0
CE1 J:HIS437 4.9 32.7 1.0

Copper binding site 8 out of 32 in 8p3m

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Copper binding site 8 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cu603

b:35.3
occ:1.00
ND1 J:HIS528 2.0 25.6 1.0
NE2 J:HIS135 2.0 25.6 1.0
O J:HOH820 2.5 42.0 1.0
O J:HOH880 2.6 30.4 1.0
CE1 J:HIS528 3.0 26.1 1.0
CG J:HIS528 3.0 27.0 1.0
CD2 J:HIS135 3.0 25.3 1.0
CE1 J:HIS135 3.0 19.2 1.0
O J:HOH904 3.3 39.2 1.0
CB J:HIS528 3.3 21.4 1.0
NZ J:LYS103 3.4 26.9 1.0
NE2 J:HIS136 3.8 24.0 1.0
O J:HOH878 3.9 41.7 1.0
NE2 J:HIS528 4.1 30.0 1.0
CD2 J:HIS528 4.1 27.7 1.0
ND1 J:HIS135 4.1 20.7 1.0
CG J:HIS135 4.1 22.3 1.0
O J:HOH903 4.2 27.8 0.5
O J:HOH745 4.3 12.5 0.5
CE J:LYS103 4.5 25.2 1.0
CE1 J:HIS136 4.5 20.9 1.0
CD2 J:HIS136 4.5 20.4 1.0
CD J:LYS103 4.6 22.6 1.0
CA J:HIS528 4.8 22.5 1.0
OE1 J:GLN156 4.8 30.0 1.0
OH J:TYR164 4.8 41.5 1.0

Copper binding site 9 out of 32 in 8p3m

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Copper binding site 9 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cu702

b:31.4
occ:1.00
NE2 M:HIS206 2.1 24.6 1.0
NE2 M:HIS381 2.1 37.1 1.0
OD2 M:ASP314 2.2 38.2 1.0
CD2 M:HIS381 2.9 32.5 1.0
CD2 M:HIS206 3.0 24.9 1.0
CG M:ASP314 3.0 48.6 1.0
CE1 M:HIS206 3.1 26.3 1.0
OD1 M:ASP314 3.2 42.8 1.0
CE1 M:HIS381 3.2 34.8 1.0
CG M:HIS381 4.1 34.5 1.0
CG M:HIS206 4.2 24.9 1.0
ND1 M:HIS206 4.2 31.3 1.0
ND1 M:HIS381 4.3 39.3 1.0
O M:HOH827 4.4 41.2 1.0
O M:HOH923 4.4 39.9 1.0
CB M:ASP314 4.5 38.1 1.0
O M:HOH914 4.6 31.3 1.0
O M:PHE436 4.7 33.8 1.0
OG1 M:THR548 4.7 30.8 1.0
CG1 M:VAL205 4.9 21.6 1.0
CE1 M:HIS437 5.0 36.1 1.0

Copper binding site 10 out of 32 in 8p3m

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Copper binding site 10 out of 32 in the The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of The Structure of Thiocyanate Dehydrogenase Mutant Form with Lys 281 Replaced By Ala From Thioalkalivibrio Paradoxus within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cu703

b:40.0
occ:1.00
ND1 M:HIS528 2.0 33.9 1.0
NE2 M:HIS135 2.1 34.9 1.0
O M:HOH922 2.6 42.8 1.0
O M:HOH914 2.7 31.3 1.0
CE1 M:HIS528 2.8 33.1 1.0
CG M:HIS528 3.0 30.3 1.0
CE1 M:HIS135 3.0 33.7 1.0
CD2 M:HIS135 3.2 26.4 1.0
NZ M:LYS103 3.5 25.3 1.0
CB M:HIS528 3.5 24.3 1.0
O M:HOH923 3.5 39.9 1.0
NE2 M:HIS136 3.8 23.5 1.0
NE2 M:HIS528 4.0 37.3 1.0
CD2 M:HIS528 4.1 35.5 1.0
ND1 M:HIS135 4.2 30.6 1.0
CG M:HIS135 4.3 26.9 1.0
CE1 M:HIS136 4.4 24.1 1.0
CD M:LYS103 4.5 29.0 1.0
CE M:LYS103 4.5 26.6 1.0
CD2 M:HIS136 4.6 23.0 1.0
OH M:TYR164 4.8 44.8 1.0
CA M:HIS528 4.9 21.5 1.0
OE1 M:GLN156 4.9 31.2 1.0

Reference:

L.A.Varfolomeeva, K.M.Polyakov, A.S.Komolov, T.V.Rakitina, N.I.Dergousova, P.V.Dorovatovskii, K.M.Boyko, T.V.Tikhonova, V.O.Popov. Improvement of Diffraction Properties of Thiocyanate Dehydrogenase Crystals To Be Published.
Page generated: Wed Jul 31 09:56:38 2024

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