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Iron in PDB 6ot4: Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562

Protein crystallography data

The structure of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562, PDB code: 6ot4 was solved by E.Golub, J.Esselborn, J.B.Bailey, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.54 / 1.40
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 126.140, 126.140, 168.210, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 19.1

Other elements in 6ot4:

The structure of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 (pdb code 6ot4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562, PDB code: 6ot4:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 10 in 6ot4

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Iron binding site 1 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:15.4
occ:1.00
 FE A:HEC201 0.0 15.4 1.0
NC A:HEC201 2.0 14.5 1.0
NA A:HEC201 2.0 14.7 1.0
NB A:HEC201 2.0 14.4 1.0
ND A:HEC201 2.0 16.4 1.0
NE2 A:HIS102 2.0 16.4 1.0
SD A:MET7 2.3 16.7 1.0
CE1 A:HIS102 3.0 16.7 1.0
C1D A:HEC201 3.0 14.5 1.0
C4A A:HEC201 3.0 16.0 1.0
CD2 A:HIS102 3.0 16.9 1.0
C1B A:HEC201 3.0 15.5 1.0
C4C A:HEC201 3.0 14.5 1.0
C4B A:HEC201 3.0 13.8 1.0
C1A A:HEC201 3.1 16.5 1.0
C4D A:HEC201 3.1 16.4 1.0
C1C A:HEC201 3.1 14.2 1.0
HE1 A:HIS102 3.2 20.0 1.0
HD2 A:HIS102 3.2 20.3 1.0
CE A:MET7 3.3 23.8 1.0
HG3 A:MET7 3.4 20.1 1.0
HE1 A:MET7 3.4 28.6 1.0
CHB A:HEC201 3.4 15.4 1.0
HE3 A:MET7 3.4 28.6 1.0
CHD A:HEC201 3.4 14.7 1.0
CHA A:HEC201 3.4 16.0 1.0
CHC A:HEC201 3.5 15.7 1.0
CG A:MET7 3.5 16.8 1.0
HB3 A:MET7 3.6 17.8 1.0
CB A:MET7 4.1 14.8 1.0
ND1 A:HIS102 4.1 15.4 1.0
CG A:HIS102 4.2 15.0 1.0
HE2 A:MET7 4.2 28.6 1.0
C3A A:HEC201 4.2 17.5 1.0
C3D A:HEC201 4.2 16.0 1.0
C2D A:HEC201 4.2 16.2 1.0
C2A A:HEC201 4.2 16.4 1.0
C3B A:HEC201 4.3 15.2 1.0
HG2 A:MET7 4.3 20.1 1.0
C3C A:HEC201 4.3 15.4 1.0
C2B A:HEC201 4.3 15.1 1.0
HD2 A:ARG106 4.3 26.5 1.0
C2C A:HEC201 4.3 15.1 1.0
HHB A:HEC201 4.4 18.5 1.0
HHD A:HEC201 4.4 17.7 1.0
HHA A:HEC201 4.4 19.2 1.0
HHC A:HEC201 4.4 18.8 1.0
HA A:MET7 4.6 18.9 1.0
HH21 A:ARG106 4.7 29.8 1.0
HB3 A:CYS98 4.7 20.2 1.0
HD12 A:LEU10 4.8 21.9 1.0
HB2 A:MET7 4.8 17.8 1.0
HD1 A:HIS102 4.9 18.4 1.0
CA A:MET7 5.0 15.8 1.0

Iron binding site 2 out of 10 in 6ot4

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Iron binding site 2 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe204

b:32.8
occ:1.00
 O A:HAE202 1.9 32.0 1.0
O C:HAE202 2.0 31.8 1.0
O2 C:HAE202 2.0 34.1 1.0
O D:HAE202 2.0 32.6 1.0
O2 D:HAE202 2.1 32.0 1.0
O2 A:HAE202 2.1 30.7 1.0
N A:HAE202 2.7 30.3 1.0
C2 C:HAE202 2.7 40.4 1.0
C2 A:HAE202 2.8 35.5 1.0
N C:HAE202 2.8 33.6 1.0
C2 D:HAE202 2.8 39.3 1.0
N D:HAE202 2.8 33.7 1.0
HN A:HAE202 3.5 36.3 1.0
HN C:HAE202 3.6 40.3 1.0
HN D:HAE202 3.6 40.5 1.0
O A:HOH342 4.0 34.1 1.0
O D:HOH363 4.0 39.0 1.0
O C:HOH345 4.0 32.5 1.0
HZ3 A:TRP66 4.0 65.6 1.0
HZ3 C:TRP66 4.1 51.5 1.0
HZ3 D:TRP66 4.1 46.4 1.0
C1 C:HAE202 4.2 38.9 1.0
C1 A:HAE202 4.2 32.8 1.0
C1 D:HAE202 4.2 27.6 1.0
H11 C:HAE202 4.5 46.6 1.0
O D:HOH331 4.5 38.3 1.0
H11 A:HAE202 4.5 39.4 1.0
O A:HOH382 4.5 31.1 1.0
H12 A:HAE202 4.6 39.4 1.0
H11 D:HAE202 4.6 33.2 1.0
H12 C:HAE202 4.6 46.6 1.0
H12 D:HAE202 4.6 33.2 1.0
O C:HOH342 4.7 33.1 1.0
CZ3 A:TRP66 4.9 54.7 1.0

Iron binding site 3 out of 10 in 6ot4

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Iron binding site 3 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:15.7
occ:1.00
 FE B:HEC201 0.0 15.7 1.0
NA B:HEC201 2.0 15.8 1.0
NB B:HEC201 2.0 15.9 1.0
NE2 B:HIS102 2.0 16.2 1.0
ND B:HEC201 2.0 15.1 1.0
NC B:HEC201 2.0 15.3 1.0
SD B:MET7 2.3 16.0 1.0
CE1 B:HIS102 3.0 18.9 1.0
C4A B:HEC201 3.0 15.9 1.0
C1A B:HEC201 3.0 17.1 1.0
C4B B:HEC201 3.0 14.4 1.0
CD2 B:HIS102 3.0 16.6 1.0
C4D B:HEC201 3.0 17.4 1.0
C1B B:HEC201 3.1 14.8 1.0
C1D B:HEC201 3.1 14.3 1.0
C1C B:HEC201 3.1 14.4 1.0
C4C B:HEC201 3.1 14.7 1.0
HE1 B:HIS102 3.1 22.7 1.0
HD2 B:HIS102 3.2 19.9 1.0
CE B:MET7 3.3 20.1 1.0
HE1 B:MET7 3.4 24.1 1.0
HE3 B:MET7 3.4 24.1 1.0
CHA B:HEC201 3.4 17.3 1.0
HG3 B:MET7 3.4 20.4 1.0
CHB B:HEC201 3.4 16.0 1.0
CHC B:HEC201 3.4 15.5 1.0
CHD B:HEC201 3.4 15.9 1.0
CG B:MET7 3.5 17.0 1.0
HB3 B:MET7 3.6 19.9 1.0
CB B:MET7 4.1 16.6 1.0
ND1 B:HIS102 4.1 18.9 1.0
CG B:HIS102 4.2 16.7 1.0
HD2 B:ARG106 4.2 26.5 1.0
HE2 B:MET7 4.2 24.1 1.0
C3A B:HEC201 4.2 18.6 1.0
C2B B:HEC201 4.3 13.6 1.0
C2D B:HEC201 4.3 18.0 1.0
C2A B:HEC201 4.3 17.8 1.0
C3B B:HEC201 4.3 15.4 1.0
C3D B:HEC201 4.3 17.8 1.0
C2C B:HEC201 4.3 15.0 1.0
HG2 B:MET7 4.3 20.4 1.0
C3C B:HEC201 4.3 15.9 1.0
HHA B:HEC201 4.4 20.8 1.0
HHB B:HEC201 4.4 19.2 1.0
HHC B:HEC201 4.4 18.6 1.0
HHD B:HEC201 4.4 19.1 1.0
HA B:MET7 4.5 17.9 1.0
HH21 B:ARG106 4.7 28.2 1.0
HB3 B:CYS98 4.7 21.7 1.0
HD12 B:LEU10 4.7 18.4 1.0
HB2 B:MET7 4.8 19.9 1.0
HD1 B:HIS102 4.9 22.7 1.0
CA B:MET7 4.9 14.9 1.0

Iron binding site 4 out of 10 in 6ot4

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Iron binding site 4 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe204

b:24.8
occ:0.33
 O B:HAE202 1.9 25.0 1.0
O2 B:HAE202 2.1 23.4 1.0
N B:HAE202 2.8 23.8 1.0
C2 B:HAE202 2.8 23.9 1.0
HN B:HAE202 3.6 28.6 1.0
O B:HOH335 3.9 27.6 1.0
HZ3 B:TRP66 3.9 34.9 1.0
C1 B:HAE202 4.3 24.4 1.0
H12 B:HAE202 4.6 29.3 1.0
H11 B:HAE202 4.7 29.3 1.0
O B:HOH336 4.7 25.2 1.0
CZ3 B:TRP66 4.8 29.1 1.0

Iron binding site 5 out of 10 in 6ot4

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Iron binding site 5 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe206

b:18.1
occ:0.80
 FE B:FE206 0.0 18.1 0.8
O B:HAE203 2.0 20.5 0.8
O C:HAE203 2.1 18.2 0.8
O2 C:HAE203 2.1 18.0 0.8
O2 B:HAE203 2.1 21.8 0.8
C2 C:HAE203 2.8 20.0 0.8
C2 B:HAE203 2.9 21.1 0.8
N B:HAE203 2.9 20.7 0.8
N C:HAE203 2.9 20.2 0.8
O2 C:HAE203 3.2 35.9 0.2
HN B:HAE203 3.7 24.8 0.8
HN C:HAE203 3.7 24.2 0.8
O2 B:HAE203 3.8 22.8 0.1
O B:HOH367 3.9 32.5 1.0
O C:HOH335 4.1 36.2 1.0
O C:HOH344 4.1 21.2 0.8
O B:HOH317 4.2 33.4 1.0
O C:HOH329 4.2 34.0 1.0
FE B:FE206 4.2 31.0 0.2
O B:HOH348 4.3 21.4 0.8
C2 C:HAE203 4.3 14.5 0.2
H12 C:HAE203 4.3 25.2 0.2
C1 C:HAE203 4.3 19.8 0.8
C1 B:HAE203 4.3 20.9 0.8
H12 C:HAE203 4.6 23.8 0.8
H12 B:HAE203 4.7 25.1 0.8
C1 C:HAE203 4.7 21.0 0.2
C2 B:HAE203 4.8 16.0 0.1
H11 C:HAE203 4.9 23.8 0.8
HZ3 C:LYS27 4.9 38.7 1.0
H11 B:HAE203 4.9 25.1 0.8
HZ3 B:LYS27 4.9 40.8 1.0

Iron binding site 6 out of 10 in 6ot4

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Iron binding site 6 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe206

b:31.0
occ:0.20
 FE B:FE206 0.0 31.0 0.2
O B:HOH348 1.9 21.4 0.8
O B:HAE203 1.9 38.0 0.1
O C:HAE203 1.9 28.6 0.2
O2 C:HAE203 1.9 35.9 0.2
O2 B:HAE203 2.2 22.8 0.1
O C:HOH344 2.3 21.2 0.8
C2 C:HAE203 2.4 14.5 0.2
N C:HAE203 2.5 20.6 0.2
N B:HAE203 2.7 19.2 0.1
C2 B:HAE203 2.7 16.0 0.1
O B:HOH497 3.0 23.1 1.0
O C:HOH483 3.3 24.5 1.0
O2 B:HAE203 3.3 21.8 0.8
HN C:HAE203 3.3 24.8 0.2
HN B:HAE203 3.5 23.0 0.1
O2 C:HAE203 3.5 18.0 0.8
HB3 B:CYS82 3.9 27.5 0.9
C1 C:HAE203 3.9 21.0 0.2
HB3 B:CYS82 4.1 25.5 0.1
SG B:CYS82 4.1 20.4 0.9
C2 B:HAE203 4.1 21.1 0.8
HB2 B:CYS82 4.2 25.5 0.1
FE B:FE206 4.2 18.1 0.8
C1 B:HAE203 4.3 31.9 0.1
HB3 C:CYS82 4.3 26.2 1.0
H12 C:HAE203 4.3 25.2 0.2
H12 B:HAE203 4.4 25.1 0.8
C2 C:HAE203 4.5 20.0 0.8
O B:HOH420 4.5 25.2 1.0
H11 C:HAE203 4.5 25.2 0.2
CB B:CYS82 4.5 22.9 0.9
CB B:CYS82 4.5 21.2 0.1
C1 B:HAE203 4.5 20.9 0.8
SG C:CYS82 4.5 21.7 1.0
O B:HOH344 4.7 24.6 1.0
H12 B:HAE203 4.7 38.2 0.1
HB2 B:CYS82 4.8 27.5 0.9
H11 B:HAE203 4.8 38.2 0.1
H12 C:HAE203 4.8 23.8 0.8
SG B:CYS82 4.8 46.1 0.1
CB C:CYS82 4.9 21.9 1.0
C1 C:HAE203 4.9 19.8 0.8
O C:HOH356 5.0 22.7 1.0
O B:HOH493 5.0 25.5 1.0

Iron binding site 7 out of 10 in 6ot4

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Iron binding site 7 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:19.1
occ:1.00
 FE C:HEC201 0.0 19.1 1.0
NB C:HEC201 2.0 18.5 1.0
NA C:HEC201 2.0 20.7 1.0
NE2 C:HIS102 2.0 21.2 1.0
ND C:HEC201 2.0 18.2 1.0
NC C:HEC201 2.0 18.0 1.0
SD C:MET7 2.3 18.5 1.0
CE1 C:HIS102 3.0 19.2 1.0
CD2 C:HIS102 3.0 21.8 1.0
C4A C:HEC201 3.0 19.4 1.0
C1D C:HEC201 3.0 17.6 1.0
C4B C:HEC201 3.0 17.1 1.0
C1C C:HEC201 3.0 16.3 1.0
C1B C:HEC201 3.0 17.1 1.0
C1A C:HEC201 3.0 19.8 1.0
C4D C:HEC201 3.1 22.1 1.0
C4C C:HEC201 3.1 16.7 1.0
HE1 C:HIS102 3.2 23.0 1.0
HD2 C:HIS102 3.2 26.2 1.0
CE C:MET7 3.3 24.6 1.0
HG3 C:MET7 3.3 24.9 1.0
HE1 C:MET7 3.4 29.6 1.0
CHB C:HEC201 3.4 20.0 1.0
HE3 C:MET7 3.4 29.6 1.0
CHC C:HEC201 3.4 16.7 1.0
CHD C:HEC201 3.4 19.9 1.0
CG C:MET7 3.4 20.7 1.0
CHA C:HEC201 3.4 21.7 1.0
HB3 C:MET7 3.7 21.4 1.0
ND1 C:HIS102 4.1 21.7 1.0
CB C:MET7 4.1 17.9 1.0
CG C:HIS102 4.1 21.3 1.0
HE2 C:MET7 4.2 29.6 1.0
HG2 C:MET7 4.2 24.9 1.0
C2D C:HEC201 4.3 20.8 1.0
C2C C:HEC201 4.3 16.8 1.0
C2B C:HEC201 4.3 16.2 1.0
C3A C:HEC201 4.3 20.9 1.0
C2A C:HEC201 4.3 20.7 1.0
C3B C:HEC201 4.3 16.7 1.0
HD2 C:ARG106 4.3 40.3 1.0
C3D C:HEC201 4.3 22.0 1.0
C3C C:HEC201 4.3 19.4 1.0
HHB C:HEC201 4.4 24.0 1.0
HHC C:HEC201 4.4 20.1 1.0
HHD C:HEC201 4.4 23.9 1.0
HHA C:HEC201 4.4 26.1 1.0
HA C:MET7 4.5 22.4 1.0
HB3 C:CYS98 4.8 21.5 1.0
HD12 C:LEU10 4.8 21.0 1.0
HH21 C:ARG106 4.8 37.2 1.0
HD1 C:HIS102 4.9 26.0 1.0
HB2 C:MET7 4.9 21.4 1.0
CA C:MET7 5.0 18.6 1.0

Iron binding site 8 out of 10 in 6ot4

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Iron binding site 8 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:19.9
occ:1.00
 FE D:HEC201 0.0 19.9 1.0
NA D:HEC201 2.0 20.3 1.0
NC D:HEC201 2.0 18.2 1.0
NB D:HEC201 2.0 18.2 1.0
ND D:HEC201 2.0 19.8 1.0
NE2 D:HIS102 2.0 21.1 1.0
SD D:MET7 2.3 19.9 1.0
C4A D:HEC201 3.0 19.7 1.0
CE1 D:HIS102 3.0 25.1 1.0
C1C D:HEC201 3.0 18.0 1.0
C1A D:HEC201 3.0 23.6 1.0
C1B D:HEC201 3.0 21.3 1.0
C4C D:HEC201 3.0 19.2 1.0
CD2 D:HIS102 3.0 22.9 1.0
C4B D:HEC201 3.0 19.2 1.0
C4D D:HEC201 3.1 23.4 1.0
C1D D:HEC201 3.1 19.7 1.0
HE1 D:HIS102 3.2 30.2 1.0
HD2 D:HIS102 3.2 27.5 1.0
CE D:MET7 3.3 30.8 1.0
HE1 D:MET7 3.3 36.9 1.0
HG3 D:MET7 3.4 24.7 1.0
HE3 D:MET7 3.4 36.9 1.0
CHA D:HEC201 3.4 21.8 1.0
CHB D:HEC201 3.4 22.1 1.0
CHC D:HEC201 3.4 18.3 1.0
CHD D:HEC201 3.4 19.0 1.0
CG D:MET7 3.5 20.6 1.0
HB3 D:MET7 3.6 25.8 1.0
CB D:MET7 4.1 21.5 1.0
ND1 D:HIS102 4.1 23.9 1.0
CG D:HIS102 4.2 20.9 1.0
HE2 D:MET7 4.2 36.9 1.0
C2C D:HEC201 4.2 18.2 1.0
C3A D:HEC201 4.2 21.2 1.0
C2B D:HEC201 4.2 20.0 1.0
C2A D:HEC201 4.2 22.9 1.0
C3C D:HEC201 4.3 21.4 1.0
C3D D:HEC201 4.3 22.2 1.0
HG2 D:MET7 4.3 24.7 1.0
HD2 D:ARG106 4.3 34.3 1.0
C3B D:HEC201 4.3 19.9 1.0
C2D D:HEC201 4.3 22.4 1.0
HHB D:HEC201 4.4 26.5 1.0
HHA D:HEC201 4.4 26.2 1.0
HHC D:HEC201 4.4 21.9 1.0
HHD D:HEC201 4.4 22.8 1.0
HA D:MET7 4.6 22.0 1.0
HD12 D:LEU10 4.7 23.2 1.0
HB3 D:CYS98 4.8 24.7 1.0
HB2 D:MET7 4.8 25.8 1.0
HD1 D:HIS102 4.9 28.7 1.0
CA D:MET7 5.0 18.4 1.0

Iron binding site 9 out of 10 in 6ot4

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Iron binding site 9 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe204

b:22.4
occ:0.27
 FE D:FE204 0.0 22.4 0.3
O D:HAE203 2.0 19.1 0.8
O2 D:HAE203 2.1 24.1 0.8
C2 D:HAE203 2.9 24.6 0.8
N D:HAE203 2.9 20.5 0.8
O2 D:HAE203 3.4 32.8 0.2
HN D:HAE203 3.7 24.6 0.8
O D:HOH359 3.8 37.0 1.0
O D:HOH313 3.9 39.4 1.0
H12 D:HAE203 4.1 24.7 0.2
O D:HOH361 4.3 24.6 0.8
C1 D:HAE203 4.3 19.9 0.8
C2 D:HAE203 4.3 30.5 0.2
FE D:FE204 4.5 44.5 0.1
C1 D:HAE203 4.6 20.6 0.2
H11 D:HAE203 4.7 23.9 0.8
H12 D:HAE203 4.9 23.9 0.8
HZ3 D:LYS27 4.9 37.4 1.0
SG D:CYS82 5.0 24.9 1.0

Iron binding site 10 out of 10 in 6ot4

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Iron binding site 10 out of 10 in the Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Bimetallic Dodecameric Cage Design 2 (BMC2) From Cytochrome CB562 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe204

b:44.5
occ:0.06
 FE D:FE204 0.0 44.5 0.1
O D:HOH458 0.6 14.8 0.3
O D:HAE203 1.9 56.3 0.2
O2 D:HAE203 1.9 32.8 0.2
O D:HOH361 2.2 24.6 0.8
C2 D:HAE203 2.4 30.5 0.2
N D:HAE203 2.4 25.3 0.2
O D:HOH301 3.0 26.8 0.8
HN D:HAE203 3.2 30.3 0.2
O2 D:HAE203 3.7 24.1 0.8
C1 D:HAE203 3.9 20.6 0.2
O D:HOH409 4.0 36.5 0.3
HB3 D:CYS82 4.1 28.5 1.0
H12 D:HAE203 4.2 24.7 0.2
H11 D:HAE203 4.4 24.7 0.2
SG D:CYS82 4.5 24.9 1.0
FE D:FE204 4.5 22.4 0.3
C2 D:HAE203 4.6 24.6 0.8
O D:HOH337 4.6 29.5 1.0
O D:HOH309 4.7 30.6 1.0
CB D:CYS82 4.7 23.8 1.0
H11 D:HAE203 4.8 23.9 0.8
C1 D:HAE203 4.9 19.9 0.8
HB2 D:CYS82 5.0 28.5 1.0

Reference:

E.Golub, R.H.Subramanian, J.Esselborn, R.G.Alberstein, J.B.Bailey, J.A.Chiong, X.Yan, T.Booth, T.S.Baker, F.A.Tezcan. Constructing Protein Polyhedra Via Orthogonal Chemical Interactions Nature 2020.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-019-1928-2
Page generated: Wed Aug 7 05:20:04 2024

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