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Iron in PDB 8eum: Microed Structure of An Aeropyrum Pernix Protoglobin Mutant

Iron Binding Sites:

The binding sites of Iron atom in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant (pdb code 8eum). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant, PDB code: 8eum:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 8eum

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Iron binding site 1 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:2.1
occ:1.00
FE A:HEM201 0.0 2.1 1.0
N3 A:IMD202 1.9 9.1 1.0
NC A:HEM201 1.9 0.0 1.0
ND A:HEM201 2.0 3.9 1.0
NA A:HEM201 2.0 5.3 1.0
NB A:HEM201 2.1 2.7 1.0
NE2 A:HIS120 2.3 0.0 1.0
C2 A:IMD202 2.8 5.0 1.0
C4 A:IMD202 2.9 5.9 1.0
C1C A:HEM201 2.9 12.7 1.0
C4C A:HEM201 2.9 8.7 1.0
C1D A:HEM201 3.0 8.4 1.0
C4D A:HEM201 3.0 2.2 1.0
C4B A:HEM201 3.0 2.8 1.0
C1A A:HEM201 3.0 5.9 1.0
C4A A:HEM201 3.1 10.3 1.0
CD2 A:HIS120 3.1 2.7 1.0
C1B A:HEM201 3.1 4.8 1.0
CHD A:HEM201 3.3 12.4 1.0
CHC A:HEM201 3.3 5.0 1.0
CE1 A:HIS120 3.4 10.3 1.0
CHA A:HEM201 3.4 5.8 1.0
CHB A:HEM201 3.5 0.2 1.0
N1 A:IMD202 4.0 1.8 1.0
C5 A:IMD202 4.0 11.9 1.0
C2C A:HEM201 4.1 4.9 1.0
C3C A:HEM201 4.1 7.8 1.0
C3D A:HEM201 4.2 9.2 1.0
C2D A:HEM201 4.2 16.3 1.0
C2A A:HEM201 4.3 0.0 1.0
C3A A:HEM201 4.3 11.4 1.0
C3B A:HEM201 4.3 8.0 1.0
CG A:HIS120 4.3 7.2 1.0
C2B A:HEM201 4.3 10.2 1.0
ND1 A:HIS120 4.4 0.0 1.0
CH2 A:TRP185 4.9 7.7 1.0

Iron binding site 2 out of 8 in 8eum

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Iron binding site 2 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe207

b:12.3
occ:1.00
NE2 A:HIS187 2.1 22.0 1.0
HN3 A:IMD203 2.1 2.2 1.0
H2 A:IMD204 2.2 43.3 1.0
HN3 A:IMD204 2.3 38.1 1.0
C2 A:IMD204 2.5 36.0 1.0
H2 A:IMD203 2.5 8.2 1.0
N3 A:IMD204 2.6 31.8 1.0
N3 A:IMD203 2.7 1.8 1.0
C2 A:IMD203 2.9 6.8 1.0
CE1 A:HIS187 3.0 8.9 1.0
CD2 A:HIS187 3.1 5.8 1.0
N1 A:IMD204 3.7 19.2 1.0
C4 A:IMD204 3.7 14.8 1.0
C4 A:IMD203 4.0 33.3 1.0
ND1 A:HIS187 4.1 7.0 1.0
CG A:HIS187 4.2 6.8 1.0
N1 A:IMD203 4.2 13.5 1.0
HN1 A:IMD204 4.3 23.0 1.0
C5 A:IMD204 4.3 41.1 1.0
O A:GLU192 4.3 29.5 1.0
H4 A:IMD204 4.4 17.8 1.0
H4 A:IMD203 4.5 39.9 1.0
O A:PRO18 4.7 13.0 1.0
C5 A:IMD203 4.8 18.7 1.0
HN1 A:IMD203 4.9 16.2 1.0

Iron binding site 3 out of 8 in 8eum

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Iron binding site 3 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:0.0
occ:1.00
FE B:HEM201 0.0 0.0 1.0
NA B:HEM201 1.8 0.0 1.0
NB B:HEM201 1.9 15.3 1.0
ND B:HEM201 2.0 0.0 1.0
N3 B:IMD202 2.0 9.1 1.0
NC B:HEM201 2.1 2.1 1.0
NE2 B:HIS120 2.2 0.0 1.0
C1A B:HEM201 2.8 1.3 1.0
C4A B:HEM201 2.8 0.0 1.0
C4B B:HEM201 2.9 12.4 1.0
C1B B:HEM201 2.9 9.3 1.0
C4D B:HEM201 3.0 12.3 1.0
C2 B:IMD202 3.0 5.0 1.0
CD2 B:HIS120 3.0 2.7 1.0
C4 B:IMD202 3.0 5.9 1.0
C1D B:HEM201 3.0 11.2 1.0
C4C B:HEM201 3.1 3.5 1.0
C1C B:HEM201 3.1 9.0 1.0
CHB B:HEM201 3.2 7.5 1.0
CHA B:HEM201 3.3 3.6 1.0
CE1 B:HIS120 3.3 10.3 1.0
CHC B:HEM201 3.4 6.5 1.0
CHD B:HEM201 3.4 9.5 1.0
C2A B:HEM201 4.0 9.7 1.0
C3A B:HEM201 4.0 5.5 1.0
N1 B:IMD202 4.1 1.8 1.0
C5 B:IMD202 4.1 11.9 1.0
C3B B:HEM201 4.1 5.0 1.0
C2B B:HEM201 4.2 6.0 1.0
CG B:HIS120 4.2 7.2 1.0
C3D B:HEM201 4.2 0.0 1.0
C2D B:HEM201 4.2 2.5 1.0
C3C B:HEM201 4.3 14.7 1.0
ND1 B:HIS120 4.3 0.0 1.0
C2C B:HEM201 4.3 17.6 1.0
CH2 B:TRP185 4.9 7.7 1.0
CZ3 B:TRP185 5.0 10.2 1.0

Iron binding site 4 out of 8 in 8eum

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Iron binding site 4 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe204

b:10.8
occ:1.00
HN3 B:IMD203 1.8 25.6 1.0
NE2 B:HIS187 2.1 22.0 1.0
HN1 C:IMD201 2.3 8.3 1.0
N3 B:IMD203 2.4 21.3 1.0
H5 C:IMD201 2.5 15.2 1.0
H2 B:IMD203 2.6 21.2 1.0
HN3 C:IMD202 2.8 60.0 1.0
C2 B:IMD203 2.8 17.7 1.0
O B:HOH323 2.9 7.8 1.0
N1 C:IMD201 2.9 6.9 1.0
C5 C:IMD201 2.9 12.7 1.0
CE1 B:HIS187 3.0 8.9 1.0
N3 C:IMD202 3.0 50.0 1.0
CD2 B:HIS187 3.2 5.8 1.0
C2 C:IMD202 3.4 8.8 1.0
H2 C:IMD202 3.6 10.6 1.0
C4 B:IMD203 3.6 15.6 1.0
C4 C:IMD202 3.7 30.5 1.0
O C:VAL127 4.0 7.7 1.0
H4 C:IMD202 4.1 36.6 1.0
N1 B:IMD203 4.1 3.9 1.0
H4 B:IMD203 4.1 18.7 1.0
ND1 B:HIS187 4.2 7.0 1.0
C2 C:IMD201 4.2 16.0 1.0
N1 C:IMD202 4.3 312.9 1.0
O B:GLU192 4.3 29.5 1.0
CG B:HIS187 4.3 6.8 1.0
C4 C:IMD201 4.3 14.1 1.0
C5 C:IMD202 4.4 294.9 1.0
O B:HOH335 4.4 11.2 1.0
CA C:GLY130 4.4 4.0 1.0
C5 B:IMD203 4.5 7.3 1.0
N C:GLY130 4.8 9.7 1.0
H2 C:IMD201 4.8 19.2 1.0
O B:PRO18 4.8 13.0 1.0
HN1 B:IMD203 4.8 4.7 1.0
N3 C:IMD201 4.9 279.8 1.0
HN1 C:IMD202 4.9 375.5 1.0
H4 C:IMD201 5.0 17.0 1.0

Iron binding site 5 out of 8 in 8eum

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Iron binding site 5 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe203

b:0.4
occ:1.00
FE C:HEM203 0.0 0.4 1.0
N3 C:IMD204 2.0 9.1 1.0
NA C:HEM203 2.0 8.6 1.0
NC C:HEM203 2.0 0.0 1.0
ND C:HEM203 2.0 1.5 1.0
NB C:HEM203 2.1 10.7 1.0
NE2 C:HIS120 2.2 0.0 1.0
C2 C:IMD204 2.9 5.0 1.0
CD2 C:HIS120 3.0 2.7 1.0
C4C C:HEM203 3.0 10.7 1.0
C1D C:HEM203 3.0 0.0 1.0
C1A C:HEM203 3.0 3.5 1.0
C4A C:HEM203 3.0 10.1 1.0
C4 C:IMD204 3.0 5.9 1.0
C4D C:HEM203 3.1 1.8 1.0
C4B C:HEM203 3.1 17.6 1.0
C1C C:HEM203 3.1 6.3 1.0
C1B C:HEM203 3.1 4.0 1.0
CE1 C:HIS120 3.3 10.3 1.0
CHD C:HEM203 3.4 0.0 1.0
CHB C:HEM203 3.4 1.8 1.0
CHC C:HEM203 3.4 16.2 1.0
CHA C:HEM203 3.4 1.4 1.0
N1 C:IMD204 4.1 1.8 1.0
C5 C:IMD204 4.1 11.9 1.0
C2A C:HEM203 4.2 14.9 1.0
CG C:HIS120 4.2 7.2 1.0
C3C C:HEM203 4.2 20.0 1.0
C3A C:HEM203 4.2 20.1 1.0
C2D C:HEM203 4.2 3.2 1.0
C3D C:HEM203 4.3 2.2 1.0
C3B C:HEM203 4.3 4.3 1.0
C2B C:HEM203 4.3 52.1 1.0
C2C C:HEM203 4.3 23.5 1.0
ND1 C:HIS120 4.3 0.0 1.0
CH2 C:TRP185 4.8 7.7 1.0
CZ3 C:TRP185 4.9 10.2 1.0

Iron binding site 6 out of 8 in 8eum

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Iron binding site 6 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe208

b:11.2
occ:1.00
HN1 C:IMD206 1.4 19.2 1.0
NE2 C:HIS187 2.2 22.0 1.0
N1 C:IMD206 2.4 16.0 1.0
HN1 C:IMD205 2.5 44.0 1.0
HN3 C:IMD207 2.6 88.6 1.0
N3 C:IMD207 2.8 73.9 1.0
N1 C:IMD205 2.8 36.6 1.0
O C:HOH339 3.1 21.3 1.0
CE1 C:HIS187 3.1 8.9 1.0
C2 C:IMD207 3.1 73.7 1.0
CD2 C:HIS187 3.2 5.8 1.0
C2 C:IMD205 3.3 112.0 1.0
C2 C:IMD206 3.3 15.8 1.0
H2 C:IMD207 3.3 88.5 1.0
C5 C:IMD206 3.4 14.2 1.0
C4 C:IMD207 3.4 23.8 1.0
H2 C:IMD205 3.5 134.4 1.0
H2 C:IMD206 3.5 19.0 1.0
H5 C:IMD206 3.5 17.0 1.0
C5 C:IMD205 3.5 29.3 1.0
H4 C:IMD207 3.8 28.6 1.0
H5 C:IMD205 3.9 35.2 1.0
N1 C:IMD207 3.9 12.7 1.0
C5 C:IMD207 4.1 13.5 1.0
N3 C:IMD205 4.2 140.3 1.0
O C:GLU192 4.2 29.5 1.0
ND1 C:HIS187 4.2 7.0 1.0
C4 C:IMD205 4.3 24.0 1.0
CG C:HIS187 4.3 6.8 1.0
N3 C:IMD206 4.5 22.1 1.0
C4 C:IMD206 4.5 34.0 1.0
HN1 C:IMD207 4.6 15.2 1.0
O C:PRO18 4.8 13.0 1.0
H5 C:IMD207 4.9 16.2 1.0
HN3 C:IMD205 4.9 168.4 1.0

Iron binding site 7 out of 8 in 8eum

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Iron binding site 7 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:0.0
occ:1.00
FE D:HEM201 0.0 0.0 1.0
NB D:HEM201 1.9 10.4 1.0
NA D:HEM201 2.0 0.0 1.0
N3 D:IMD202 2.0 9.1 1.0
NC D:HEM201 2.0 0.0 1.0
ND D:HEM201 2.1 11.6 1.0
NE2 D:HIS120 2.2 0.0 1.0
C1B D:HEM201 2.9 5.7 1.0
C4A D:HEM201 2.9 1.4 1.0
C2 D:IMD202 2.9 5.0 1.0
C4B D:HEM201 3.0 12.7 1.0
CD2 D:HIS120 3.0 2.7 1.0
C4C D:HEM201 3.0 5.4 1.0
C4 D:IMD202 3.0 5.9 1.0
C1A D:HEM201 3.0 3.6 1.0
C1D D:HEM201 3.1 12.1 1.0
C1C D:HEM201 3.1 15.4 1.0
C4D D:HEM201 3.2 8.3 1.0
CHB D:HEM201 3.2 3.6 1.0
CE1 D:HIS120 3.3 10.3 1.0
CHD D:HEM201 3.3 14.1 1.0
CHC D:HEM201 3.4 0.8 1.0
CHA D:HEM201 3.5 0.8 1.0
N1 D:IMD202 4.1 1.8 1.0
C2B D:HEM201 4.1 20.8 1.0
C5 D:IMD202 4.1 11.9 1.0
C3B D:HEM201 4.1 11.7 1.0
C3A D:HEM201 4.2 20.4 1.0
C2A D:HEM201 4.2 19.1 1.0
CG D:HIS120 4.2 7.2 1.0
C3C D:HEM201 4.2 7.1 1.0
C2C D:HEM201 4.3 11.5 1.0
C2D D:HEM201 4.3 16.3 1.0
ND1 D:HIS120 4.3 0.0 1.0
C3D D:HEM201 4.4 0.4 1.0
CH2 D:TRP185 4.9 7.7 1.0
CZ3 D:TRP185 4.9 10.2 1.0

Iron binding site 8 out of 8 in 8eum

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Iron binding site 8 out of 8 in the Microed Structure of An Aeropyrum Pernix Protoglobin Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Microed Structure of An Aeropyrum Pernix Protoglobin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe204

b:8.7
occ:1.00
NE2 D:HIS187 1.9 22.0 1.0
H5 D:IMD203 2.0 20.6 1.0
HN1 D:IMD203 2.3 19.1 1.0
H5 A:IMD205 2.3 7.7 1.0
C5 D:IMD203 2.4 17.2 1.0
N1 D:IMD203 2.5 15.9 1.0
HN1 A:IMD205 2.6 6.9 1.0
HN3 A:IMD206 2.7 308.5 1.0
O A:HOH326 2.8 9.0 1.0
C5 A:IMD205 2.9 6.4 1.0
CE1 D:HIS187 2.9 8.9 1.0
N3 A:IMD206 3.0 257.1 1.0
CD2 D:HIS187 3.0 5.8 1.0
N1 A:IMD205 3.0 5.7 1.0
C2 A:IMD206 3.5 73.2 1.0
C4 A:IMD206 3.6 17.7 1.0
C4 D:IMD203 3.7 6.6 1.0
H2 A:IMD206 3.7 87.8 1.0
C2 D:IMD203 3.8 3.3 1.0
H4 A:IMD206 3.8 21.3 1.0
ND1 D:HIS187 4.0 7.0 1.0
CG D:HIS187 4.1 6.8 1.0
O A:VAL127 4.2 7.7 1.0
C4 A:IMD205 4.2 17.1 1.0
H4 D:IMD203 4.3 7.9 1.0
O D:GLU192 4.3 29.5 1.0
N1 A:IMD206 4.3 305.0 1.0
N3 D:IMD203 4.3 7.5 1.0
C5 A:IMD206 4.3 324.4 1.0
C2 A:IMD205 4.3 26.1 1.0
H2 D:IMD203 4.4 4.0 1.0
CA A:GLY130 4.6 4.0 1.0
H4 A:IMD205 4.8 20.6 1.0
O D:PRO18 4.8 13.0 1.0
N3 A:IMD205 4.9 85.9 1.0
N A:GLY130 5.0 9.7 1.0
O D:HOH316 5.0 31.4 1.0
H2 A:IMD205 5.0 31.3 1.0

Reference:

E.Danelius, N.J.Porter, J.Unge, F.H.Arnold, T.Gonen. Microed Structure of A Protoglobin Reactive Carbene Intermediate To Be Published.
Page generated: Thu Dec 28 05:57:10 2023

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