Iron in PDB 4pv1: Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin

Enzymatic activity of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin

All present enzymatic activity of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin:
1.10.9.1;

Protein crystallography data

The structure of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin, PDB code: 4pv1 was solved by S.S.Hasan, E.Yamashita, W.A.Cramer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.34 / 3.00
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 159.085, 159.085, 361.322, 90.00, 90.00, 120.00
R / Rfree (%) 21.6 / 24.7

Other elements in 4pv1:

The structure of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin also contains other interesting chemical elements:

Cadmium (Cd) 2 atoms
Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin (pdb code 4pv1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin, PDB code: 4pv1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 4pv1

Go back to Iron Binding Sites List in 4pv1
Iron binding site 1 out of 6 in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe303

b:63.3
occ:1.00
FE A:HEM303 0.0 63.3 1.0
NC A:HEM303 2.0 71.7 1.0
NE2 A:HIS187 2.1 54.8 1.0
NA A:HEM303 2.1 65.4 1.0
ND A:HEM303 2.1 59.3 1.0
NB A:HEM303 2.1 64.5 1.0
NE2 A:HIS86 2.1 45.6 1.0
CE1 A:HIS187 2.9 50.8 1.0
CE1 A:HIS86 2.9 56.3 1.0
C4C A:HEM303 3.0 72.2 1.0
C1D A:HEM303 3.1 70.5 1.0
C1C A:HEM303 3.1 79.9 1.0
C4D A:HEM303 3.1 65.4 1.0
C1A A:HEM303 3.1 68.6 1.0
C4A A:HEM303 3.1 63.1 1.0
C1B A:HEM303 3.1 71.7 1.0
C4B A:HEM303 3.1 59.2 1.0
CD2 A:HIS187 3.2 71.5 1.0
CD2 A:HIS86 3.3 63.6 1.0
CHD A:HEM303 3.4 70.2 1.0
CHA A:HEM303 3.4 72.1 1.0
CHC A:HEM303 3.5 77.1 1.0
CHB A:HEM303 3.5 67.5 1.0
ND1 A:HIS187 4.1 53.4 1.0
ND1 A:HIS86 4.1 58.6 1.0
CG A:HIS187 4.3 62.4 1.0
C3C A:HEM303 4.3 82.6 1.0
C2D A:HEM303 4.3 58.3 1.0
C2C A:HEM303 4.3 73.2 1.0
C3D A:HEM303 4.3 65.8 1.0
C2A A:HEM303 4.3 52.1 1.0
C3A A:HEM303 4.3 58.5 1.0
CG A:HIS86 4.3 55.3 1.0
C2B A:HEM303 4.3 66.5 1.0
C3B A:HEM303 4.3 64.1 1.0
NE2 A:GLN47 4.5 79.1 1.0

Iron binding site 2 out of 6 in 4pv1

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Iron binding site 2 out of 6 in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe304

b:62.2
occ:1.00
FE A:HEM304 0.0 62.2 1.0
NC A:HEM304 2.1 67.1 1.0
ND A:HEM304 2.1 61.3 1.0
NA A:HEM304 2.1 46.9 1.0
NB A:HEM304 2.1 61.0 1.0
NE2 A:HIS100 2.2 72.5 1.0
NE2 A:HIS202 2.2 76.5 1.0
CD2 A:HIS100 3.0 71.5 1.0
CE1 A:HIS202 3.0 73.8 1.0
C4C A:HEM304 3.0 65.9 1.0
C1D A:HEM304 3.0 68.4 1.0
C4D A:HEM304 3.0 71.5 1.0
C1C A:HEM304 3.1 68.8 1.0
C1A A:HEM304 3.1 64.9 1.0
C4A A:HEM304 3.1 63.5 1.0
C4B A:HEM304 3.1 65.5 1.0
C1B A:HEM304 3.1 66.1 1.0
CD2 A:HIS202 3.3 81.5 1.0
CE1 A:HIS100 3.3 77.2 1.0
CHD A:HEM304 3.4 72.5 1.0
CHA A:HEM304 3.4 68.5 1.0
CHC A:HEM304 3.4 66.7 1.0
CHB A:HEM304 3.5 57.8 1.0
ND1 A:HIS202 4.2 68.0 1.0
CG A:HIS100 4.2 77.7 1.0
C3C A:HEM304 4.2 59.4 1.0
C2C A:HEM304 4.2 68.4 1.0
C3D A:HEM304 4.3 61.3 1.0
C2D A:HEM304 4.3 66.7 1.0
C2A A:HEM304 4.3 74.3 1.0
C3A A:HEM304 4.3 74.2 1.0
CG A:HIS202 4.3 68.2 1.0
C3B A:HEM304 4.3 50.2 1.0
C2B A:HEM304 4.3 62.9 1.0
ND1 A:HIS100 4.3 88.6 1.0

Iron binding site 3 out of 6 in 4pv1

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Iron binding site 3 out of 6 in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe305

b:88.2
occ:1.00
FE A:HEM305 0.0 88.2 1.0
NC A:HEM305 2.0 0.1 1.0
NA A:HEM305 2.1 0.8 1.0
NB A:HEM305 2.1 0.3 1.0
ND A:HEM305 2.1 95.2 1.0
O A:HOH401 2.1 91.7 1.0
O8 A:SMA308 2.2 77.5 1.0
C1A A:HEM305 3.1 0.6 1.0
C4C A:HEM305 3.1 0.8 1.0
C4A A:HEM305 3.1 0.0 1.0
C1C A:HEM305 3.1 98.8 1.0
C1D A:HEM305 3.1 83.5 1.0
C1B A:HEM305 3.1 0.1 1.0
C4B A:HEM305 3.1 0.5 1.0
C4D A:HEM305 3.1 92.9 1.0
CHD A:HEM305 3.4 96.3 1.0
CHA A:HEM305 3.4 0.5 1.0
CHB A:HEM305 3.4 0.3 1.0
CHC A:HEM305 3.5 0.6 1.0
C8 A:SMA308 3.6 89.0 0.4
CZ B:PHE40 3.8 0.3 1.0
CE2 B:PHE40 3.9 0.6 1.0
O7 A:SMA308 4.0 0.2 0.5
C2A A:HEM305 4.3 93.3 1.0
C3A A:HEM305 4.3 0.5 1.0
C3C A:HEM305 4.3 98.8 1.0
C2C A:HEM305 4.3 85.1 1.0
C2B A:HEM305 4.3 0.5 1.0
C3B A:HEM305 4.3 0.4 1.0
C2D A:HEM305 4.3 72.4 1.0
C3D A:HEM305 4.3 83.8 1.0
O1 A:SMA308 4.3 91.2 0.7
C7 A:SMA308 4.4 97.5 1.0
C8A A:SMA308 4.4 91.2 0.4
O A:TYR34 4.4 96.0 1.0
CMA A:HEM304 4.5 71.9 1.0
O2A A:HEM304 4.6 91.8 1.0
CAA A:HEM304 4.8 74.2 1.0
C7M A:SMA308 4.8 0.7 1.0
CE1 B:PHE40 4.9 0.8 1.0

Iron binding site 4 out of 6 in 4pv1

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Iron binding site 4 out of 6 in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe301

b:85.8
occ:1.00
FE C:HEM301 0.0 85.8 1.0
N C:TYR1 2.0 79.7 1.0
NC C:HEM301 2.0 65.3 1.0
NA C:HEM301 2.0 71.5 1.0
ND C:HEM301 2.1 96.9 1.0
NB C:HEM301 2.1 89.9 1.0
NE2 C:HIS26 2.1 94.1 1.0
C4C C:HEM301 3.0 75.3 1.0
C4A C:HEM301 3.0 76.9 1.0
C1D C:HEM301 3.1 95.7 1.0
C1A C:HEM301 3.1 85.3 1.0
C1B C:HEM301 3.1 90.5 1.0
C1C C:HEM301 3.1 69.1 1.0
C4D C:HEM301 3.1 99.9 1.0
CD2 C:HIS26 3.1 95.4 1.0
CE1 C:HIS26 3.1 89.2 1.0
C4B C:HEM301 3.1 80.2 1.0
CHD C:HEM301 3.4 89.9 1.0
CHB C:HEM301 3.4 83.9 1.0
CA C:TYR1 3.4 99.6 1.0
CHA C:HEM301 3.4 89.2 1.0
CHC C:HEM301 3.5 60.8 1.0
C C:TYR1 4.0 98.4 1.0
O C:TYR1 4.1 0.2 1.0
ND1 C:HIS26 4.2 86.8 1.0
CG C:HIS26 4.3 94.6 1.0
C3A C:HEM301 4.3 84.3 1.0
C3C C:HEM301 4.3 74.0 1.0
C2A C:HEM301 4.3 87.1 1.0
C2C C:HEM301 4.3 76.4 1.0
C2B C:HEM301 4.3 91.9 1.0
C2D C:HEM301 4.3 92.2 1.0
C3D C:HEM301 4.3 0.8 1.0
C3B C:HEM301 4.3 87.2 1.0
CB C:TYR1 4.3 0.5 1.0
CG C:TYR1 4.8 0.2 1.0
CE3 C:TRP4 4.8 0.1 1.0
N C:PRO2 4.9 94.1 1.0
CD1 C:TYR1 4.9 95.1 1.0
ND2 C:ASN154 4.9 90.0 1.0

Iron binding site 5 out of 6 in 4pv1

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Iron binding site 5 out of 6 in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:0.3
occ:1.00
FE1 D:FES201 0.0 0.3 1.0
S1 D:FES201 2.2 0.2 1.0
S2 D:FES201 2.2 0.8 1.0
SG D:CYS126 2.3 0.5 1.0
SG D:CYS108 2.3 0.9 1.0
CB D:CYS108 2.7 0.6 1.0
FE2 D:FES201 3.1 0.7 1.0
CB D:CYS126 3.4 0.5 1.0
OG D:SER131 4.0 0.6 1.0
CB D:HIS110 4.2 0.5 1.0
ND1 D:HIS129 4.2 0.8 1.0
CA D:CYS108 4.2 0.7 1.0
CB D:CYS113 4.3 0.8 1.0
O D:CYS113 4.4 0.8 1.0
CG2 D:VAL115 4.6 0.6 1.0
CA D:CYS126 4.8 0.7 1.0
N D:CYS113 4.8 0.9 1.0
C D:CYS108 4.9 0.4 1.0
N D:LEU111 4.9 0.5 1.0
N D:HIS110 4.9 0.3 1.0
CE1 D:HIS129 5.0 0.2 1.0
CA D:CYS113 5.0 0.0 1.0

Iron binding site 6 out of 6 in 4pv1

Go back to Iron Binding Sites List in 4pv1
Iron binding site 6 out of 6 in the Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cytochrome B6F Structure From M. Laminosus with the Quinone Analog Inhibitor Stigmatellin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:0.7
occ:1.00
FE2 D:FES201 0.0 0.7 1.0
ND1 D:HIS129 2.1 0.8 1.0
S2 D:FES201 2.2 0.8 1.0
S1 D:FES201 2.2 0.2 1.0
ND1 D:HIS110 2.3 0.4 1.0
CE1 D:HIS129 2.5 0.2 1.0
CG D:HIS110 2.7 0.3 1.0
CB D:HIS110 2.8 0.5 1.0
CG D:HIS129 3.0 0.8 1.0
FE1 D:FES201 3.1 0.3 1.0
NE2 D:HIS129 3.3 0.6 1.0
CE1 D:HIS110 3.3 0.5 1.0
CD2 D:HIS129 3.6 0.7 1.0
CB D:HIS129 3.8 0.1 1.0
CD2 D:HIS110 3.9 0.8 1.0
N D:LEU111 4.0 0.5 1.0
NE2 D:HIS110 4.1 0.6 1.0
CA D:HIS110 4.2 0.9 1.0
SG D:CYS126 4.4 0.5 1.0
CG D:LEU111 4.4 0.4 1.0
C D:HIS110 4.4 0.6 1.0
CB D:LEU111 4.5 0.8 1.0
SG D:CYS108 4.6 0.9 1.0
CD1 D:LEU111 4.8 96.4 1.0
OG D:SER131 4.8 0.6 1.0
N D:HIS110 4.9 0.3 1.0
CA D:LEU111 4.9 0.6 1.0

Reference:

S.S.Hasan, E.Yamashita, W.A.Cramer. The Integral Chlorophyll Modulates Intra-Protein Quinone-Traffic Within the Cytochrome B6F Complex To Be Published.
Page generated: Sun Dec 13 15:44:32 2020

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