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Iron in PDB 3d1i: Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite

Protein crystallography data

The structure of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite, PDB code: 3d1i was solved by K.M.Polyakov, K.M.Boyko, A.Slutsky, T.V.Tikhonova, A.N.Antipov, R.A.Zvyagilskaya, A.N.Popov, V.S.Lamzin, G.P.Bourenkov, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 11.99 / 1.80
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 193.412, 193.412, 193.412, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 16.5

Other elements in 3d1i:

The structure of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Sodium (Na) 2 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite (pdb code 3d1i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite, PDB code: 3d1i:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in 3d1i

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Iron binding site 1 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1004

b:15.6
occ:1.00
FE A:HEC1004 0.0 15.6 1.0
HZ2 A:LYS188 1.2 17.3 0.0
N A:NO2528 1.9 16.1 0.5
NZ A:LYS188 1.9 17.4 1.0
NA A:HEC1004 2.0 16.1 1.0
NC A:HEC1004 2.0 14.7 1.0
ND A:HEC1004 2.0 14.8 1.0
NB A:HEC1004 2.0 15.6 1.0
O A:HOH1013 2.1 16.6 0.5
HZ1 A:LYS188 2.4 17.3 0.0
HZ3 A:LYS188 2.4 17.3 0.0
O1 A:NO2528 2.8 16.3 0.5
O2 A:NO2528 3.0 16.3 0.5
C1A A:HEC1004 3.0 15.8 1.0
C4D A:HEC1004 3.0 14.2 1.0
C1C A:HEC1004 3.0 15.4 1.0
C4C A:HEC1004 3.0 15.2 1.0
C1D A:HEC1004 3.0 15.1 1.0
C4B A:HEC1004 3.0 14.7 1.0
CE A:LYS188 3.0 18.8 1.0
C4A A:HEC1004 3.1 16.7 1.0
C1B A:HEC1004 3.1 14.6 1.0
HE3 A:LYS188 3.2 17.7 1.0
HE2 A:LYS188 3.2 17.7 1.0
CHA A:HEC1004 3.3 14.8 1.0
CHC A:HEC1004 3.4 17.7 1.0
CHD A:HEC1004 3.4 14.9 1.0
CHB A:HEC1004 3.5 16.2 1.0
HE2 A:HIS361 3.5 14.7 0.0
HMD1 A:HEC1006 4.1 13.2 0.0
C2A A:HEC1004 4.2 14.6 1.0
C2C A:HEC1004 4.2 14.0 1.0
C3C A:HEC1004 4.3 15.1 1.0
C3D A:HEC1004 4.3 13.5 1.0
C3A A:HEC1004 4.3 16.1 1.0
C2D A:HEC1004 4.3 14.5 1.0
C3B A:HEC1004 4.3 16.6 1.0
HHA A:HEC1004 4.3 14.9 1.0
C2B A:HEC1004 4.3 15.4 1.0
HHC A:HEC1004 4.3 16.4 1.0
HHD A:HEC1004 4.4 15.0 1.0
NE2 A:HIS361 4.4 14.6 1.0
CD A:LYS188 4.4 15.5 1.0
HHB A:HEC1004 4.4 16.0 1.0
HH21 A:ARG131 4.5 16.2 1.0
OH A:TYR303 4.5 22.1 1.0
HD3 A:LYS188 4.6 16.5 1.0
O A:HOH1161 4.6 21.9 1.0
HD2 A:LYS188 4.7 16.5 1.0
O A:HOH1152 4.7 17.3 1.0
HH A:TYR303 4.7 22.3 0.0
HH22 A:ARG131 4.8 16.2 1.0
HB2 A:CYS187 4.8 15.0 1.0
HMD3 A:HEC1006 4.8 13.2 0.0
CMD A:HEC1006 4.9 13.1 1.0
HD1 A:HIS126 5.0 15.6 0.0
O A:HOH1359 5.0 17.0 1.0
NH2 A:ARG131 5.0 16.0 1.0

Iron binding site 2 out of 16 in 3d1i

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Iron binding site 2 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1005

b:14.6
occ:1.00
FE A:HEC1005 0.0 14.6 1.0
ND A:HEC1005 2.0 15.0 1.0
NA A:HEC1005 2.0 14.5 1.0
NE2 A:HIS231 2.0 14.2 1.0
NE2 A:HIS398 2.0 15.0 1.0
NB A:HEC1005 2.0 14.0 1.0
NC A:HEC1005 2.0 12.4 1.0
CD2 A:HIS398 2.9 13.8 1.0
CE1 A:HIS231 3.0 13.9 1.0
C1D A:HEC1005 3.0 14.3 1.0
CD2 A:HIS231 3.0 14.4 1.0
C4D A:HEC1005 3.0 14.8 1.0
CE1 A:HIS398 3.0 15.1 1.0
C4A A:HEC1005 3.0 12.5 1.0
C1C A:HEC1005 3.0 12.6 1.0
C1B A:HEC1005 3.0 13.8 1.0
C1A A:HEC1005 3.0 12.9 1.0
C4B A:HEC1005 3.0 14.0 1.0
C4C A:HEC1005 3.0 12.0 1.0
HD2 A:HIS398 3.1 13.9 1.0
HD2 A:HIS231 3.2 13.9 1.0
HE1 A:HIS231 3.2 13.7 1.0
HE1 A:HIS398 3.2 14.8 1.0
CHD A:HEC1005 3.4 13.2 1.0
CHB A:HEC1005 3.4 13.8 1.0
CHC A:HEC1005 3.4 14.0 1.0
CHA A:HEC1005 3.4 14.7 1.0
ND1 A:HIS231 4.1 12.9 1.0
ND1 A:HIS398 4.1 14.1 1.0
CG A:HIS398 4.1 13.3 1.0
HMA1 A:HEC1003 4.1 14.9 0.0
CG A:HIS231 4.1 12.4 1.0
HE2 A:MET384 4.2 20.8 0.0
C3D A:HEC1005 4.2 16.0 1.0
C2B A:HEC1005 4.2 13.2 1.0
C2D A:HEC1005 4.2 15.2 1.0
C3A A:HEC1005 4.2 12.1 1.0
C2C A:HEC1005 4.3 11.4 1.0
C2A A:HEC1005 4.3 13.1 1.0
C3B A:HEC1005 4.3 12.7 1.0
C3C A:HEC1005 4.3 11.9 1.0
HHD A:HEC1005 4.3 13.2 1.0
HHB A:HEC1005 4.3 13.5 1.0
HHC A:HEC1005 4.3 13.7 1.0
HHA A:HEC1005 4.4 14.3 1.0
HG2 A:GLN73 4.4 13.4 1.0
HB3 A:GLN73 4.6 15.0 1.0
HB2 A:CYS230 4.7 14.2 1.0
HD1 A:HIS231 4.9 13.0 1.0
HD1 A:HIS398 4.9 14.1 1.0
CMA A:HEC1003 5.0 14.9 1.0

Iron binding site 3 out of 16 in 3d1i

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Iron binding site 3 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1006

b:13.5
occ:1.00
FE A:HEC1006 0.0 13.5 1.0
NE2 A:HIS300 1.9 13.6 1.0
ND A:HEC1006 2.0 12.3 1.0
NE2 A:HIS119 2.0 13.9 1.0
NB A:HEC1006 2.0 12.5 1.0
NA A:HEC1006 2.0 13.5 1.0
NC A:HEC1006 2.0 13.1 1.0
CE1 A:HIS119 2.9 13.3 1.0
CE1 A:HIS300 2.9 13.3 1.0
C1D A:HEC1006 3.0 12.2 1.0
CD2 A:HIS300 3.0 14.2 1.0
C4B A:HEC1006 3.0 13.2 1.0
C1B A:HEC1006 3.0 14.3 1.0
C4A A:HEC1006 3.0 13.3 1.0
C1A A:HEC1006 3.0 12.0 1.0
HE1 A:HIS119 3.0 13.2 1.0
C1C A:HEC1006 3.0 14.1 1.0
CD2 A:HIS119 3.0 12.9 1.0
C4D A:HEC1006 3.0 13.4 1.0
C4C A:HEC1006 3.0 13.7 1.0
HE1 A:HIS300 3.1 13.6 1.0
HD2 A:HIS300 3.2 14.1 1.0
HD2 A:HIS119 3.3 13.2 1.0
CHD A:HEC1006 3.3 13.9 1.0
CHC A:HEC1006 3.4 13.6 1.0
CHB A:HEC1006 3.4 12.3 1.0
CHA A:HEC1006 3.4 13.0 1.0
HMD1 A:HEC1004 3.9 16.1 0.0
ND1 A:HIS119 4.0 12.2 1.0
ND1 A:HIS300 4.0 14.5 1.0
CG A:HIS300 4.1 14.2 1.0
CG A:HIS119 4.1 13.1 1.0
C2B A:HEC1006 4.2 13.7 1.0
C3B A:HEC1006 4.2 12.6 1.0
C2A A:HEC1006 4.2 11.2 1.0
C3A A:HEC1006 4.3 12.5 1.0
C2D A:HEC1006 4.3 14.8 1.0
C2C A:HEC1006 4.3 14.6 1.0
C3D A:HEC1006 4.3 12.6 1.0
C3C A:HEC1006 4.3 11.3 1.0
HHD A:HEC1006 4.3 13.4 1.0
HHC A:HEC1006 4.3 13.6 1.0
HHB A:HEC1006 4.4 13.0 1.0
HHA A:HEC1006 4.4 12.9 1.0
HAD1 A:HEC1004 4.5 13.6 1.0
HE2 A:MET122 4.6 13.9 0.0
HMA1 A:HEC1007 4.6 13.9 0.0
HD1 A:HIS119 4.8 12.7 1.0
HD1 A:HIS300 4.8 14.2 1.0
HE1 A:MET122 4.8 13.9 0.0
HD21 A:LEU225 4.8 22.2 0.0
CMD A:HEC1004 4.9 16.1 1.0
HB2 A:CYS299 4.9 14.6 1.0

Iron binding site 4 out of 16 in 3d1i

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Iron binding site 4 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1007

b:14.5
occ:1.00
FE A:HEC1007 0.0 14.5 1.0
NC A:HEC1007 1.9 14.0 1.0
NE2 A:HIS383 1.9 13.0 1.0
NE2 A:HIS491 1.9 14.0 1.0
NA A:HEC1007 2.0 13.4 1.0
ND A:HEC1007 2.0 12.8 1.0
NB A:HEC1007 2.0 12.7 1.0
CE1 A:HIS491 2.8 14.7 1.0
CE1 A:HIS383 2.9 14.1 1.0
CD2 A:HIS383 3.0 13.7 1.0
C1C A:HEC1007 3.0 13.6 1.0
C4D A:HEC1007 3.0 14.0 1.0
HE1 A:HIS491 3.0 14.6 1.0
C4C A:HEC1007 3.0 14.8 1.0
C4A A:HEC1007 3.0 12.8 1.0
C1D A:HEC1007 3.0 15.1 1.0
C1A A:HEC1007 3.0 12.4 1.0
C1B A:HEC1007 3.0 12.9 1.0
C4B A:HEC1007 3.0 12.9 1.0
CD2 A:HIS491 3.0 13.9 1.0
HE1 A:HIS383 3.1 13.8 1.0
HD2 A:HIS383 3.2 13.7 1.0
HD2 A:HIS491 3.3 14.1 1.0
CHC A:HEC1007 3.4 12.7 1.0
CHA A:HEC1007 3.4 14.2 1.0
CHD A:HEC1007 3.4 13.8 1.0
CHB A:HEC1007 3.4 13.6 1.0
ND1 A:HIS491 4.0 14.9 1.0
ND1 A:HIS383 4.0 13.8 1.0
CG A:HIS383 4.1 14.5 1.0
CG A:HIS491 4.1 14.8 1.0
C2C A:HEC1007 4.2 13.9 1.0
C3D A:HEC1007 4.2 12.9 1.0
C3A A:HEC1007 4.2 13.1 1.0
C3C A:HEC1007 4.3 13.8 1.0
C2B A:HEC1007 4.3 13.6 1.0
C2D A:HEC1007 4.3 14.0 1.0
C2A A:HEC1007 4.3 13.2 1.0
C3B A:HEC1007 4.3 13.3 1.0
HB3 A:SER487 4.3 14.4 1.0
HHC A:HEC1007 4.3 12.9 1.0
HHA A:HEC1007 4.3 13.7 1.0
HHD A:HEC1007 4.3 14.3 1.0
HHB A:HEC1007 4.3 13.2 1.0
HD1 A:HIS491 4.8 14.8 1.0
HB2 A:CYS382 4.8 14.0 1.0
HD1 A:HIS383 4.8 14.0 1.0
HB2 A:SER487 4.9 14.4 1.0
HD2 A:PHE490 5.0 15.5 1.0

Iron binding site 5 out of 16 in 3d1i

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Iron binding site 5 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1008

b:17.6
occ:1.00
FE A:HEC1008 0.0 17.6 1.0
NB A:HEC1008 1.9 15.4 1.0
NE2 A:HIS415 1.9 17.2 1.0
NE2 A:HIS372 1.9 17.0 1.0
ND A:HEC1008 2.0 19.2 1.0
NA A:HEC1008 2.0 17.2 1.0
NC A:HEC1008 2.0 18.2 1.0
CE1 A:HIS415 2.8 21.2 1.0
CE1 A:HIS372 2.9 20.1 1.0
CD2 A:HIS372 2.9 16.9 1.0
C1B A:HEC1008 3.0 18.2 1.0
C4B A:HEC1008 3.0 15.3 1.0
C1D A:HEC1008 3.0 21.5 1.0
HE1 A:HIS415 3.0 20.2 1.0
C1A A:HEC1008 3.0 19.1 1.0
CD2 A:HIS415 3.0 21.4 1.0
C4D A:HEC1008 3.0 21.6 1.0
C1C A:HEC1008 3.0 18.1 1.0
C4A A:HEC1008 3.0 15.4 1.0
C4C A:HEC1008 3.0 20.6 1.0
HE1 A:HIS372 3.1 18.8 1.0
HD2 A:HIS372 3.1 16.5 1.0
HD2 A:HIS415 3.2 20.0 1.0
CHD A:HEC1008 3.3 20.0 1.0
CHC A:HEC1008 3.3 18.8 1.0
CHB A:HEC1008 3.4 18.4 1.0
CHA A:HEC1008 3.4 19.6 1.0
ND1 A:HIS415 4.0 20.9 1.0
ND1 A:HIS372 4.0 17.7 1.0
CG A:HIS372 4.1 15.4 1.0
CG A:HIS415 4.1 19.5 1.0
C2B A:HEC1008 4.2 19.0 1.0
C3B A:HEC1008 4.2 15.7 1.0
C2A A:HEC1008 4.2 19.8 1.0
C2D A:HEC1008 4.2 24.0 1.0
C3D A:HEC1008 4.2 25.0 1.0
C3A A:HEC1008 4.2 19.1 1.0
C2C A:HEC1008 4.2 17.3 1.0
C3C A:HEC1008 4.3 19.2 1.0
HBC3 A:HEC1007 4.3 14.5 0.0
HHD A:HEC1008 4.3 20.5 1.0
HHC A:HEC1008 4.3 17.8 1.0
HHB A:HEC1008 4.3 17.7 1.0
HHA A:HEC1008 4.3 20.0 1.0
HZ3 A:TRP418 4.7 19.4 1.0
HD1 A:HIS415 4.7 20.6 1.0
HD1 A:HIS372 4.8 17.7 1.0
HBC2 A:HEC1007 4.9 14.5 0.0
HZ A:PHE490 4.9 15.2 1.0
CBC A:HEC1007 5.0 14.3 1.0

Iron binding site 6 out of 16 in 3d1i

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Iron binding site 6 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1002

b:15.2
occ:1.00
FE A:HEC1002 0.0 15.2 1.0
NE2 A:HIS39 1.9 13.8 1.0
NE2 A:HIS234 1.9 15.2 1.0
NB A:HEC1002 2.0 14.7 1.0
ND A:HEC1002 2.0 15.2 1.0
NA A:HEC1002 2.0 14.1 1.0
NC A:HEC1002 2.0 12.0 1.0
CE1 A:HIS39 2.9 14.7 1.0
CD2 A:HIS234 2.9 12.7 1.0
CE1 A:HIS234 2.9 13.8 1.0
CD2 A:HIS39 3.0 14.5 1.0
C1B A:HEC1002 3.0 15.3 1.0
C1D A:HEC1002 3.0 14.8 1.0
C4A A:HEC1002 3.0 15.7 1.0
C4C A:HEC1002 3.0 14.5 1.0
C4D A:HEC1002 3.1 14.4 1.0
C1A A:HEC1002 3.1 14.2 1.0
C1C A:HEC1002 3.1 14.1 1.0
C4B A:HEC1002 3.1 14.7 1.0
HE1 A:HIS39 3.1 14.6 1.0
HD2 A:HIS234 3.1 13.7 1.0
HE1 A:HIS234 3.1 14.5 1.0
HD2 A:HIS39 3.2 14.4 1.0
CHB A:HEC1002 3.3 15.7 1.0
CHD A:HEC1002 3.3 14.3 1.0
CHC A:HEC1002 3.4 15.2 1.0
CHA A:HEC1002 3.4 16.0 1.0
ND1 A:HIS39 4.0 15.4 1.0
ND1 A:HIS234 4.0 15.2 1.0
CG A:HIS234 4.1 14.3 1.0
CG A:HIS39 4.1 14.6 1.0
HMA1 A:HEC1001 4.2 16.7 0.0
C3A A:HEC1002 4.2 15.0 1.0
C2B A:HEC1002 4.2 16.4 1.0
C2A A:HEC1002 4.2 15.1 1.0
C2D A:HEC1002 4.3 14.7 1.0
C3C A:HEC1002 4.3 14.6 1.0
C3D A:HEC1002 4.3 13.7 1.0
C2C A:HEC1002 4.3 15.4 1.0
HHB A:HEC1002 4.3 15.6 1.0
HHD A:HEC1002 4.3 14.5 1.0
C3B A:HEC1002 4.3 14.3 1.0
HHC A:HEC1002 4.4 14.8 1.0
HHA A:HEC1002 4.4 15.2 1.0
HG2 A:PRO233 4.5 13.9 1.0
HG22 A:ILE21 4.6 17.6 0.0
HB2 A:CYS38 4.6 16.1 1.0
HB2 A:PRO233 4.6 14.1 1.0
HD13 A:ILE21 4.7 20.7 0.0
HD1 A:HIS39 4.8 15.0 1.0
HD1 A:HIS234 4.8 14.7 1.0
HG23 A:THR59 4.8 16.7 0.0
HG13 A:ILE21 4.9 19.4 1.0
HG23 A:ILE21 4.9 17.6 0.0

Iron binding site 7 out of 16 in 3d1i

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Iron binding site 7 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1003

b:14.9
occ:1.00
FE A:HEC1003 0.0 14.9 1.0
NA A:HEC1003 2.0 14.3 1.0
NB A:HEC1003 2.0 15.2 1.0
ND A:HEC1003 2.0 14.8 1.0
NC A:HEC1003 2.0 15.3 1.0
NE2 A:HIS70 2.0 16.0 1.0
NE2 A:HIS30 2.0 13.9 1.0
CE1 A:HIS30 3.0 16.6 1.0
CE1 A:HIS70 3.0 16.6 1.0
CD2 A:HIS70 3.0 15.8 1.0
C1B A:HEC1003 3.0 13.3 1.0
C1D A:HEC1003 3.0 13.6 1.0
C4A A:HEC1003 3.0 12.5 1.0
C4C A:HEC1003 3.0 15.6 1.0
CD2 A:HIS30 3.0 15.8 1.0
C1A A:HEC1003 3.0 12.8 1.0
C1C A:HEC1003 3.0 14.8 1.0
C4D A:HEC1003 3.0 13.3 1.0
C4B A:HEC1003 3.0 11.6 1.0
HE1 A:HIS30 3.2 15.5 1.0
HD2 A:HIS70 3.2 15.4 1.0
HE1 A:HIS70 3.2 16.1 1.0
HD2 A:HIS30 3.2 15.2 1.0
CHB A:HEC1003 3.3 13.0 1.0
CHD A:HEC1003 3.4 14.3 1.0
CHC A:HEC1003 3.4 14.2 1.0
CHA A:HEC1003 3.4 14.0 1.0
HMA1 A:HEC1005 4.0 12.5 0.0
ND1 A:HIS70 4.1 15.0 1.0
ND1 A:HIS30 4.1 14.6 1.0
CG A:HIS70 4.1 13.8 1.0
CG A:HIS30 4.2 15.2 1.0
C2B A:HEC1003 4.2 15.6 1.0
C3A A:HEC1003 4.2 15.2 1.0
C2D A:HEC1003 4.2 16.2 1.0
C2A A:HEC1003 4.2 13.7 1.0
C3B A:HEC1003 4.3 14.5 1.0
C3C A:HEC1003 4.3 15.2 1.0
C2C A:HEC1003 4.3 16.7 1.0
C3D A:HEC1003 4.3 14.5 1.0
HHB A:HEC1003 4.3 12.9 1.0
HHD A:HEC1003 4.3 14.5 1.0
HHC A:HEC1003 4.4 13.8 1.0
HHA A:HEC1003 4.4 13.6 1.0
HB1 A:ALA236 4.4 15.1 0.0
HG22 A:VAL33 4.4 15.1 0.0
HB2 A:ALA236 4.6 15.1 0.0
HB2 A:CYS69 4.7 16.6 1.0
HD1 A:HIS30 4.9 15.2 1.0
HD1 A:HIS70 4.9 15.1 1.0
CMA A:HEC1005 5.0 12.7 1.0

Iron binding site 8 out of 16 in 3d1i

Go back to Iron Binding Sites List in 3d1i
Iron binding site 8 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1001

b:16.5
occ:1.00
FE A:HEC1001 0.0 16.5 1.0
NE2 A:HIS18 1.9 14.2 1.0
NE2 A:HIS44 1.9 14.6 1.0
NA A:HEC1001 2.0 15.9 1.0
NB A:HEC1001 2.0 15.9 1.0
ND A:HEC1001 2.0 18.0 1.0
NC A:HEC1001 2.1 16.6 1.0
CE1 A:HIS18 2.8 16.6 1.0
CE1 A:HIS44 2.9 15.9 1.0
CD2 A:HIS44 2.9 15.9 1.0
HE1 A:HIS18 3.0 15.8 1.0
CD2 A:HIS18 3.0 16.4 1.0
C1A A:HEC1001 3.0 15.7 1.0
C1D A:HEC1001 3.0 18.1 1.0
C4A A:HEC1001 3.0 15.8 1.0
C4D A:HEC1001 3.1 17.5 1.0
C1B A:HEC1001 3.1 18.1 1.0
C4B A:HEC1001 3.1 18.5 1.0
C1C A:HEC1001 3.1 17.9 1.0
C4C A:HEC1001 3.1 17.5 1.0
HE1 A:HIS44 3.1 16.2 1.0
HD2 A:HIS44 3.2 15.6 1.0
HD2 A:HIS18 3.3 16.0 1.0
CHD A:HEC1001 3.4 17.1 1.0
CHC A:HEC1001 3.4 18.4 1.0
CHA A:HEC1001 3.4 18.1 1.0
CHB A:HEC1001 3.4 17.2 1.0
ND1 A:HIS18 3.9 15.5 1.0
HMA1 A:HEC1002 4.0 16.3 0.0
ND1 A:HIS44 4.0 18.4 1.0
CG A:HIS18 4.1 16.8 1.0
CG A:HIS44 4.1 16.0 1.0
HG3 A:PRO57 4.1 17.3 1.0
C2A A:HEC1001 4.2 16.4 1.0
C3A A:HEC1001 4.2 14.5 1.0
C2D A:HEC1001 4.3 16.8 1.0
C2B A:HEC1001 4.3 16.6 1.0
C3D A:HEC1001 4.3 17.0 1.0
C2C A:HEC1001 4.3 16.5 1.0
C3B A:HEC1001 4.3 16.4 1.0
C3C A:HEC1001 4.3 16.8 1.0
HHD A:HEC1001 4.4 17.4 1.0
HHC A:HEC1001 4.4 18.3 1.0
HHA A:HEC1001 4.4 17.4 1.0
HHB A:HEC1001 4.4 17.1 1.0
HD1 A:HIS18 4.7 16.1 1.0
HD1 A:HIS44 4.8 17.3 1.0
HB2 A:CYS17 4.8 20.4 1.0
CMA A:HEC1002 5.0 16.3 1.0

Iron binding site 9 out of 16 in 3d1i

Go back to Iron Binding Sites List in 3d1i
Iron binding site 9 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1004

b:13.8
occ:1.00
FE B:HEC1004 0.0 13.8 1.0
HZ2 B:LYS188 1.0 17.4 0.0
N B:NO2528 1.9 16.3 0.5
NZ B:LYS188 1.9 17.3 1.0
NA B:HEC1004 2.0 13.8 1.0
NC B:HEC1004 2.0 13.9 1.0
ND B:HEC1004 2.0 11.7 1.0
NB B:HEC1004 2.0 14.0 1.0
O B:HOH1431 2.1 13.0 0.5
HZ1 B:LYS188 2.2 17.4 0.0
HZ3 B:LYS188 2.3 17.4 0.0
O1 B:NO2528 2.6 16.8 0.5
O2 B:NO2528 2.9 17.5 0.5
CE B:LYS188 3.0 18.8 1.0
C1C B:HEC1004 3.0 13.1 1.0
C4A B:HEC1004 3.0 12.1 1.0
C1A B:HEC1004 3.0 13.8 1.0
C4B B:HEC1004 3.0 14.4 1.0
C1D B:HEC1004 3.0 13.9 1.0
C4D B:HEC1004 3.0 12.1 1.0
HE3 B:LYS188 3.0 17.8 1.0
C4C B:HEC1004 3.0 13.1 1.0
HE2 B:LYS188 3.1 17.8 1.0
C1B B:HEC1004 3.1 14.6 1.0
CHC B:HEC1004 3.3 14.2 1.0
CHA B:HEC1004 3.4 13.9 1.0
CHB B:HEC1004 3.4 14.8 1.0
CHD B:HEC1004 3.4 12.3 1.0
HE2 B:HIS361 3.6 13.5 0.0
HMD1 B:HEC1006 4.0 12.4 0.0
C2C B:HEC1004 4.2 13.4 1.0
C3A B:HEC1004 4.2 14.9 1.0
C2A B:HEC1004 4.3 13.4 1.0
C3D B:HEC1004 4.3 11.6 1.0
HHC B:HEC1004 4.3 14.0 1.0
C2D B:HEC1004 4.3 12.5 1.0
C3C B:HEC1004 4.3 11.4 1.0
C3B B:HEC1004 4.3 15.1 1.0
NE2 B:HIS361 4.3 13.5 1.0
C2B B:HEC1004 4.3 14.1 1.0
HHA B:HEC1004 4.4 13.4 1.0
HHB B:HEC1004 4.4 14.1 1.0
HHD B:HEC1004 4.4 12.9 1.0
CD B:LYS188 4.4 16.1 1.0
HH21 B:ARG131 4.5 14.6 1.0
HD3 B:LYS188 4.5 16.2 1.0
OH B:TYR303 4.6 23.8 1.0
HMD3 B:HEC1006 4.7 12.4 0.0
O B:HOH1616 4.7 16.8 1.0
HD2 B:LYS188 4.7 16.2 1.0
O B:HOH1625 4.7 21.8 1.0
CMD B:HEC1006 4.8 12.4 1.0
HH22 B:ARG131 4.8 14.6 1.0
HB2 B:CYS187 4.9 13.7 1.0
HD1 B:HIS126 4.9 13.7 0.0
HH B:TYR303 5.0 23.9 0.0
HB3 B:CYS187 5.0 13.7 1.0

Iron binding site 10 out of 16 in 3d1i

Go back to Iron Binding Sites List in 3d1i
Iron binding site 10 out of 16 in the Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of the Thioalkalivibrio Nitratireducens Cytochrome C Nitrite Reductase in A Complex with Nitrite within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1005

b:13.5
occ:1.00
FE B:HEC1005 0.0 13.5 1.0
NE2 B:HIS398 1.9 13.3 1.0
ND B:HEC1005 2.0 14.1 1.0
NB B:HEC1005 2.0 13.7 1.0
NE2 B:HIS231 2.0 12.8 1.0
NC B:HEC1005 2.0 12.1 1.0
NA B:HEC1005 2.0 12.7 1.0
CE1 B:HIS398 2.9 14.0 1.0
CD2 B:HIS398 2.9 13.4 1.0
CE1 B:HIS231 3.0 13.7 1.0
CD2 B:HIS231 3.0 14.1 1.0
C1D B:HEC1005 3.0 12.8 1.0
C4D B:HEC1005 3.0 15.0 1.0
C4A B:HEC1005 3.0 11.9 1.0
C1B B:HEC1005 3.0 13.6 1.0
C1C B:HEC1005 3.0 12.7 1.0
C4B B:HEC1005 3.0 11.5 1.0
C1A B:HEC1005 3.0 12.5 1.0
C4C B:HEC1005 3.0 12.7 1.0
HE1 B:HIS398 3.1 13.8 1.0
HD2 B:HIS398 3.1 13.7 1.0
HD2 B:HIS231 3.2 13.3 1.0
HE1 B:HIS231 3.2 13.2 1.0
CHC B:HEC1005 3.4 12.2 1.0
CHB B:HEC1005 3.4 14.1 1.0
CHD B:HEC1005 3.4 13.2 1.0
CHA B:HEC1005 3.4 13.5 1.0
ND1 B:HIS398 4.1 13.5 1.0
ND1 B:HIS231 4.1 12.4 1.0
CG B:HIS398 4.1 14.7 1.0
CG B:HIS231 4.1 12.2 1.0
HMA1 B:HEC1003 4.1 14.4 0.0
C2D B:HEC1005 4.2 14.1 1.0
C3D B:HEC1005 4.2 14.8 1.0
C2B B:HEC1005 4.2 13.1 1.0
C2C B:HEC1005 4.2 13.0 1.0
C3A B:HEC1005 4.2 14.3 1.0
C3B B:HEC1005 4.3 11.9 1.0
C2A B:HEC1005 4.3 13.9 1.0
C3C B:HEC1005 4.3 12.4 1.0
HHC B:HEC1005 4.3 12.2 1.0
HHB B:HEC1005 4.3 13.5 1.0
HE2 B:MET384 4.3 16.2 0.0
HHD B:HEC1005 4.4 13.0 1.0
HHA B:HEC1005 4.4 13.7 1.0
HG2 B:GLN73 4.5 14.4 1.0
HB3 B:GLN73 4.7 15.2 1.0
HB2 B:CYS230 4.7 14.0 1.0
HD1 B:HIS398 4.8 13.9 1.0
HD1 B:HIS231 4.9 12.7 1.0

Reference:

K.M.Polyakov, K.M.Boyko, T.V.Tikhonova, A.Slutsky, A.N.Antipov, R.A.Zvyagilskaya, A.N.Popov, G.P.Bourenkov, V.S.Lamzin, V.O.Popov. High-Resolution Structural Analysis of A Novel Octaheme Cytochrome C Nitrite Reductase From the Haloalkaliphilic Bacterium Thioalkalivibrio Nitratireducens J.Mol.Biol. V. 389 846 2009.
ISSN: ISSN 0022-2836
PubMed: 19393666
DOI: 10.1016/J.JMB.2009.04.037
Page generated: Sun Dec 13 15:03:14 2020

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