Iron in PDB 3ov0: Structure of Dodecaheme Cytochrome C GSU1996

The structure of Structure of Dodecaheme Cytochrome C GSU1996, PDB code: 3ov0 was solved by P.R.Pokkuluri, M.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.20
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	150.900, 150.900, 76.100, 90.00, 90.00, 90.00
R / Rfree (%)	26.6 / 29.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Structure of Dodecaheme Cytochrome C GSU1996 (pdb code 3ov0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Structure of Dodecaheme Cytochrome C GSU1996, PDB code: 3ov0:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:51.5 occ:1.00 FE A:HEM601 0.0 51.5 1.0 NB A:HEM601 1.9 54.0 1.0 NC A:HEM601 2.0 55.1 1.0 NE2 A:HIS35 2.0 49.5 1.0 NA A:HEM601 2.0 56.4 1.0 NE2 A:HIS20 2.0 52.3 1.0 ND A:HEM601 2.0 52.8 1.0 CE1 A:HIS20 2.5 52.2 1.0 CE1 A:HIS35 2.8 46.2 1.0 C1B A:HEM601 3.0 56.1 1.0 C4B A:HEM601 3.0 55.3 1.0 C4C A:HEM601 3.0 55.3 1.0 C1A A:HEM601 3.0 57.9 1.0 C4A A:HEM601 3.0 57.1 1.0 C1C A:HEM601 3.0 55.4 1.0 C1D A:HEM601 3.1 53.8 1.0 C4D A:HEM601 3.1 54.9 1.0 CD2 A:HIS35 3.1 47.1 1.0 CD2 A:HIS20 3.3 53.2 1.0 CHD A:HEM601 3.4 55.0 1.0 CHB A:HEM601 3.4 56.7 1.0 CHC A:HEM601 3.4 55.0 1.0 CHA A:HEM601 3.4 57.4 1.0 ND1 A:HIS20 3.7 53.4 1.0 ND1 A:HIS35 4.0 47.4 1.0 CG A:HIS20 4.1 53.7 1.0 CG A:HIS35 4.2 48.4 1.0 C2B A:HEM601 4.2 57.1 1.0 C3B A:HEM601 4.2 56.8 1.0 C3A A:HEM601 4.3 58.0 1.0 C2A A:HEM601 4.3 58.9 1.0 C2C A:HEM601 4.3 55.1 1.0 C3C A:HEM601 4.3 54.5 1.0 C2D A:HEM601 4.3 54.0 1.0 C3D A:HEM601 4.3 54.2 1.0 CE2 A:PHE18 5.0 57.8 1.0

Iron binding site 2 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:47.2 occ:1.00 FE A:HEM602 0.0 47.2 1.0 ND A:HEM602 1.9 49.9 1.0 NE2 A:HIS23 2.0 47.9 1.0 NA A:HEM602 2.0 47.1 1.0 NC A:HEM602 2.0 45.0 1.0 NB A:HEM602 2.0 44.8 1.0 NE2 A:HIS62 2.0 46.6 1.0 CD2 A:HIS23 2.6 49.7 1.0 CE1 A:HIS62 2.8 45.2 1.0 C4D A:HEM602 3.0 52.1 1.0 C1D A:HEM602 3.0 51.0 1.0 C1C A:HEM602 3.0 44.7 1.0 C4A A:HEM602 3.0 46.9 1.0 C1A A:HEM602 3.0 48.9 1.0 C4C A:HEM602 3.0 46.1 1.0 C4B A:HEM602 3.0 43.9 1.0 C1B A:HEM602 3.1 43.9 1.0 CE1 A:HIS23 3.1 49.2 1.0 CD2 A:HIS62 3.2 45.3 1.0 CHA A:HEM602 3.4 50.8 1.0 CHC A:HEM602 3.4 45.6 1.0 CHD A:HEM602 3.4 48.9 1.0 CHB A:HEM602 3.4 45.0 1.0 CG A:HIS23 3.9 50.3 1.0 ND1 A:HIS23 4.1 48.8 1.0 ND1 A:HIS62 4.1 44.9 1.0 C2D A:HEM602 4.2 53.7 1.0 C2C A:HEM602 4.2 44.3 1.0 C3A A:HEM602 4.3 49.0 1.0 C2A A:HEM602 4.3 50.5 1.0 C3B A:HEM602 4.3 41.7 1.0 C3C A:HEM602 4.3 44.9 1.0 CG A:HIS62 4.3 45.7 1.0 C3D A:HEM602 4.3 55.1 1.0 C2B A:HEM602 4.3 42.3 1.0 CE1 A:PHE18 5.0 59.0 1.0

Iron binding site 3 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:35.0 occ:1.00 FE A:HEM603 0.0 35.0 1.0 NC A:HEM603 1.9 37.4 1.0 ND A:HEM603 1.9 31.4 1.0 NA A:HEM603 2.0 30.7 1.0 NB A:HEM603 2.0 34.8 1.0 NE2 A:HIS80 2.0 40.0 1.0 SD A:MET49 2.3 36.2 1.0 C4C A:HEM603 3.0 36.4 1.0 CD2 A:HIS80 3.0 46.0 1.0 C1A A:HEM603 3.0 27.9 1.0 C4D A:HEM603 3.0 30.3 1.0 C4A A:HEM603 3.0 29.5 1.0 C1C A:HEM603 3.0 37.6 1.0 C1B A:HEM603 3.0 33.9 1.0 C1D A:HEM603 3.0 31.0 1.0 CE1 A:HIS80 3.0 43.1 1.0 C4B A:HEM603 3.0 35.7 1.0 CHA A:HEM603 3.3 28.9 1.0 CG A:MET49 3.4 39.7 1.0 CHB A:HEM603 3.4 32.3 1.0 CHD A:HEM603 3.4 33.0 1.0 CHC A:HEM603 3.4 36.6 1.0 CE A:MET49 3.6 38.7 1.0 CG A:HIS80 4.1 45.2 1.0 ND1 A:HIS80 4.1 44.2 1.0 C3C A:HEM603 4.1 38.5 1.0 C2A A:HEM603 4.2 26.0 1.0 C3A A:HEM603 4.2 27.1 1.0 C2C A:HEM603 4.2 38.3 1.0 C3D A:HEM603 4.2 30.3 1.0 C2D A:HEM603 4.2 29.8 1.0 C2B A:HEM603 4.3 35.4 1.0 C3B A:HEM603 4.3 36.0 1.0 CE A:MET52 4.6 46.7 1.0 CB A:MET49 4.8 42.3 1.0

Iron binding site 4 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:39.7 occ:1.00 FE A:HEM604 0.0 39.7 1.0 NA A:HEM604 1.9 39.5 1.0 NC A:HEM604 1.9 37.6 1.0 NB A:HEM604 1.9 41.7 1.0 ND A:HEM604 2.0 41.0 1.0 NE2 A:HIS116 2.0 46.3 1.0 NE2 A:HIS101 2.0 51.1 1.0 CE1 A:HIS116 2.9 49.8 1.0 C4A A:HEM604 2.9 38.7 1.0 CD2 A:HIS101 3.0 62.4 1.0 C4C A:HEM604 3.0 36.4 1.0 C1B A:HEM604 3.0 41.4 1.0 C1C A:HEM604 3.0 36.1 1.0 C1A A:HEM604 3.0 39.2 1.0 C1D A:HEM604 3.0 38.9 1.0 C4B A:HEM604 3.0 40.5 1.0 C4D A:HEM604 3.1 39.2 1.0 CD2 A:HIS116 3.1 50.7 1.0 CE1 A:HIS101 3.1 61.3 1.0 CHB A:HEM604 3.3 40.4 1.0 CHD A:HEM604 3.4 36.8 1.0 CHC A:HEM604 3.4 37.4 1.0 CHA A:HEM604 3.4 39.0 1.0 ND1 A:HIS116 4.1 49.6 1.0 CG A:HIS101 4.2 64.5 1.0 C3A A:HEM604 4.2 39.4 1.0 CG A:HIS116 4.2 50.0 1.0 C2C A:HEM604 4.2 35.4 1.0 C3C A:HEM604 4.2 35.9 1.0 C2B A:HEM604 4.2 42.3 1.0 ND1 A:HIS101 4.2 64.3 1.0 C2A A:HEM604 4.2 39.3 1.0 C3B A:HEM604 4.2 42.6 1.0 C2D A:HEM604 4.3 39.7 1.0 C3D A:HEM604 4.3 39.1 1.0

Iron binding site 5 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:76.3 occ:1.00 FE A:HEM605 0.0 76.3 1.0 NB A:HEM605 1.9 76.5 1.0 NC A:HEM605 1.9 76.1 1.0 NE2 A:HIS104 2.0 77.2 1.0 ND A:HEM605 2.0 80.0 1.0 NA A:HEM605 2.0 80.6 1.0 NE2 A:HIS142 2.1 73.0 1.0 CE1 A:HIS142 2.5 69.7 1.0 CE1 A:HIS104 2.5 78.6 1.0 C4B A:HEM605 3.0 75.0 1.0 C1C A:HEM605 3.0 75.9 1.0 C1B A:HEM605 3.0 78.5 1.0 C4C A:HEM605 3.0 77.0 1.0 C1D A:HEM605 3.0 80.7 1.0 C4A A:HEM605 3.1 81.8 1.0 C1A A:HEM605 3.1 82.9 1.0 C4D A:HEM605 3.1 82.7 1.0 CD2 A:HIS104 3.3 78.8 1.0 CHC A:HEM605 3.4 75.8 1.0 CD2 A:HIS142 3.4 70.1 1.0 CHD A:HEM605 3.4 79.4 1.0 CHB A:HEM605 3.4 80.4 1.0 CHA A:HEM605 3.5 83.5 1.0 ND1 A:HIS142 3.8 70.6 1.0 ND1 A:HIS104 3.8 79.7 1.0 C3B A:HEM605 4.2 73.8 1.0 CG A:HIS104 4.2 80.0 1.0 CG A:HIS142 4.2 70.9 1.0 C2B A:HEM605 4.2 76.8 1.0 C2C A:HEM605 4.2 75.2 1.0 C3A A:HEM605 4.3 83.5 1.0 C3C A:HEM605 4.3 74.8 1.0 C2A A:HEM605 4.3 84.9 1.0 C2D A:HEM605 4.3 81.9 1.0 C3D A:HEM605 4.3 83.3 1.0 CE1 A:PHE99 5.0 77.0 1.0

Iron binding site 6 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe606 b:24.2 occ:1.00 FE A:HEM606 0.0 24.2 1.0 NC A:HEM606 1.9 21.8 1.0 ND A:HEM606 1.9 21.3 1.0 NB A:HEM606 2.0 25.6 1.0 NA A:HEM606 2.0 26.4 1.0 NE2 A:HIS158 2.0 33.4 1.0 SD A:MET129 2.4 34.2 1.0 C1C A:HEM606 2.9 20.9 1.0 C4D A:HEM606 2.9 21.0 1.0 C4C A:HEM606 2.9 19.3 1.0 CE1 A:HIS158 2.9 40.9 1.0 C1D A:HEM606 3.0 18.5 1.0 C4B A:HEM606 3.0 24.4 1.0 C1A A:HEM606 3.0 24.8 1.0 C1B A:HEM606 3.0 25.3 1.0 C4A A:HEM606 3.0 24.6 1.0 CD2 A:HIS158 3.1 42.4 1.0 CHC A:HEM606 3.3 23.2 1.0 CHA A:HEM606 3.3 22.7 1.0 CHD A:HEM606 3.4 17.1 1.0 CHB A:HEM606 3.4 24.6 1.0 CG A:MET129 3.5 44.4 1.0 CE A:MET129 3.7 38.1 1.0 ND1 A:HIS158 4.1 43.3 1.0 C3C A:HEM606 4.1 19.9 1.0 C2C A:HEM606 4.1 20.3 1.0 C3D A:HEM606 4.2 21.2 1.0 CG A:HIS158 4.2 45.5 1.0 C2D A:HEM606 4.2 19.3 1.0 C3B A:HEM606 4.2 25.9 1.0 C2B A:HEM606 4.2 26.6 1.0 C2A A:HEM606 4.2 25.1 1.0 C3A A:HEM606 4.2 24.3 1.0 CB A:MET129 4.9 49.2 1.0

Iron binding site 7 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe607 b:48.8 occ:1.00 FE A:HEM607 0.0 48.8 1.0 NC A:HEM607 1.9 48.3 1.0 NE2 A:HIS194 1.9 47.5 1.0 NB A:HEM607 1.9 50.6 1.0 NA A:HEM607 2.0 54.5 1.0 ND A:HEM607 2.0 52.8 1.0 NE2 A:HIS181 2.0 46.9 1.0 CE1 A:HIS181 2.1 46.9 1.0 CE1 A:HIS194 2.7 45.5 1.0 C1C A:HEM607 3.0 49.1 1.0 C1B A:HEM607 3.0 52.7 1.0 C4C A:HEM607 3.0 48.5 1.0 C4A A:HEM607 3.0 56.6 1.0 C4B A:HEM607 3.0 50.0 1.0 C1D A:HEM607 3.1 53.2 1.0 C1A A:HEM607 3.1 57.0 1.0 C4D A:HEM607 3.1 54.1 1.0 CD2 A:HIS194 3.1 47.5 1.0 CHB A:HEM607 3.4 55.5 1.0 CHC A:HEM607 3.4 49.4 1.0 CD2 A:HIS181 3.4 45.1 1.0 ND1 A:HIS181 3.4 47.4 1.0 CHD A:HEM607 3.4 51.3 1.0 CHA A:HEM607 3.5 55.6 1.0 ND1 A:HIS194 3.9 47.7 1.0 CG A:HIS181 4.1 45.4 1.0 CG A:HIS194 4.1 48.0 1.0 C3C A:HEM607 4.2 46.9 1.0 C2C A:HEM607 4.2 47.5 1.0 C2B A:HEM607 4.2 51.6 1.0 C3B A:HEM607 4.3 50.3 1.0 C3A A:HEM607 4.3 59.0 1.0 C2A A:HEM607 4.3 59.9 1.0 C2D A:HEM607 4.3 53.6 1.0 C3D A:HEM607 4.4 54.1 1.0

Iron binding site 8 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe608 b:28.3 occ:1.00 FE A:HEM608 0.0 28.3 1.0 NE2 A:HIS222 1.9 33.1 1.0 ND A:HEM608 1.9 30.0 1.0 NC A:HEM608 1.9 28.7 1.0 NA A:HEM608 1.9 27.8 1.0 NB A:HEM608 2.0 29.4 1.0 NE2 A:HIS184 2.0 29.8 1.0 CE1 A:HIS184 2.6 31.7 1.0 CE1 A:HIS222 2.8 38.1 1.0 C4C A:HEM608 3.0 29.5 1.0 C1D A:HEM608 3.0 29.9 1.0 C1A A:HEM608 3.0 29.3 1.0 C1C A:HEM608 3.0 27.5 1.0 C4B A:HEM608 3.0 28.7 1.0 C4A A:HEM608 3.0 28.2 1.0 C4D A:HEM608 3.0 31.1 1.0 C1B A:HEM608 3.0 29.4 1.0 CD2 A:HIS222 3.1 40.4 1.0 CD2 A:HIS184 3.3 29.6 1.0 CHD A:HEM608 3.3 29.7 1.0 CHA A:HEM608 3.4 31.2 1.0 CHC A:HEM608 3.4 27.7 1.0 CHB A:HEM608 3.4 28.7 1.0 ND1 A:HIS184 3.9 32.1 1.0 ND1 A:HIS222 4.0 41.4 1.0 CG A:HIS222 4.1 43.7 1.0 C3C A:HEM608 4.2 29.7 1.0 C2D A:HEM608 4.2 31.3 1.0 C2C A:HEM608 4.2 28.1 1.0 C3A A:HEM608 4.2 29.3 1.0 C2B A:HEM608 4.2 29.7 1.0 C2A A:HEM608 4.2 29.7 1.0 CG A:HIS184 4.2 30.4 1.0 C3D A:HEM608 4.3 31.0 1.0 C3B A:HEM608 4.3 29.6 1.0

Iron binding site 9 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe609 b:81.3 occ:1.00 FE A:HEM609 0.0 81.3 1.0 NE2 A:HIS238 1.9 77.1 1.0 NC A:HEM609 1.9 81.8 1.0 ND A:HEM609 1.9 82.9 1.0 NB A:HEM609 2.0 82.5 1.0 NA A:HEM609 2.0 84.1 1.0 SD A:MET209 2.3 82.0 1.0 CE1 A:HIS238 2.9 72.9 1.0 CD2 A:HIS238 2.9 73.2 1.0 C4C A:HEM609 3.0 82.3 1.0 C1D A:HEM609 3.0 83.7 1.0 C1B A:HEM609 3.0 83.2 1.0 C1C A:HEM609 3.0 81.9 1.0 C1A A:HEM609 3.0 85.6 1.0 C4D A:HEM609 3.0 84.5 1.0 C4B A:HEM609 3.0 82.3 1.0 C4A A:HEM609 3.0 84.8 1.0 CG A:MET209 3.3 86.7 1.0 CHD A:HEM609 3.4 83.3 1.0 CHA A:HEM609 3.4 85.6 1.0 CHC A:HEM609 3.4 82.0 1.0 CHB A:HEM609 3.4 84.2 1.0 CE A:MET209 3.6 83.0 1.0 ND1 A:HIS238 4.1 74.1 1.0 CG A:HIS238 4.1 73.7 1.0 C2B A:HEM609 4.2 82.4 1.0 C2D A:HEM609 4.2 84.3 1.0 C2A A:HEM609 4.2 86.3 1.0 C3B A:HEM609 4.2 82.1 1.0 C3A A:HEM609 4.2 85.4 1.0 C2C A:HEM609 4.3 81.9 1.0 C3C A:HEM609 4.3 81.1 1.0 C3D A:HEM609 4.3 84.4 1.0 CB A:MET209 4.8 90.0 1.0

Iron binding site 10 out of 12 in the Structure of Dodecaheme Cytochrome C GSU1996


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of Dodecaheme Cytochrome C GSU1996 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe610 b:58.1 occ:1.00 FE A:HEM610 0.0 58.1 1.0 NE2 A:HIS272 1.9 54.4 1.0 NA A:HEM610 1.9 59.9 1.0 NB A:HEM610 2.0 60.5 1.0 ND A:HEM610 2.0 60.8 1.0 NC A:HEM610 2.0 58.1 1.0 NE2 A:HIS259 2.0 55.6 1.0 CE1 A:HIS272 2.8 50.4 1.0 CE1 A:HIS259 2.9 53.5 1.0 C4A A:HEM610 3.0 61.5 1.0 C1C A:HEM610 3.0 58.7 1.0 C1B A:HEM610 3.0 61.8 1.0 C1A A:HEM610 3.0 61.8 1.0 C4B A:HEM610 3.0 61.1 1.0 C4D A:HEM610 3.0 62.4 1.0 CD2 A:HIS272 3.0 52.1 1.0 C1D A:HEM610 3.1 61.3 1.0 C4C A:HEM610 3.1 58.9 1.0 CD2 A:HIS259 3.1 54.9 1.0 CHC A:HEM610 3.4 59.9 1.0 CHB A:HEM610 3.4 61.5 1.0 CHA A:HEM610 3.4 62.4 1.0 CHD A:HEM610 3.5 59.9 1.0 ND1 A:HIS272 4.0 51.8 1.0 ND1 A:HIS259 4.1 55.3 1.0 CG A:HIS272 4.1 53.9 1.0 C3A A:HEM610 4.2 62.2 1.0 CG A:HIS259 4.2 56.6 1.0 C2C A:HEM610 4.2 58.6 1.0 C2A A:HEM610 4.2 62.2 1.0 C2B A:HEM610 4.2 61.5 1.0 C2D A:HEM610 4.3 62.3 1.0 C3D A:HEM610 4.3 63.1 1.0 C3B A:HEM610 4.3 61.2 1.0 C3C A:HEM610 4.3 57.2 1.0 CE2 A:PHE257 4.8 72.5 1.0

P.R.Pokkuluri, Y.Y.Londer, N.E.Duke, M.Pessanha, X.Yang, V.Orshonsky, L.Orshonsky, J.Erickson, Y.Zagyanskiy, C.A.Salgueiro, M.Schiffer. Structure of A Novel Dodecaheme Cytochrome C From Geobacter Sulfurreducens Reveals An Extended 12NM Protein with Interacting Hemes. J.Struct.Biol. V. 174 223 2011.
ISSN: ISSN 1047-8477
PubMed: 21130881
DOI: 10.1016/J.JSB.2010.11.022