Iron in PDB 2a3p: Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate

The structure of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate, PDB code: 2a3p was solved by M.V.Pattarkine, Y.-H.Lee, J.J.Tanner, J.D.Wall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.13 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.160, 43.700, 57.887, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 24.8

The structure of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate also contains other interesting chemical elements:

Molybdenum

(Mo)

1 atom

The binding sites of Iron atom in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate (pdb code 2a3p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate, PDB code: 2a3p:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:34.6 occ:1.00 FE A:HEM501 0.0 34.6 1.0 NE2 A:HIS33 1.9 32.7 1.0 NE2 A:HIS21 1.9 33.3 1.0 NA A:HEM501 2.0 33.2 1.0 NB A:HEM501 2.1 32.4 1.0 ND A:HEM501 2.1 33.2 1.0 NC A:HEM501 2.1 34.0 1.0 CE1 A:HIS33 2.8 33.7 1.0 CE1 A:HIS21 2.8 33.9 1.0 CD2 A:HIS33 3.0 33.6 1.0 C4A A:HEM501 3.0 33.6 1.0 CD2 A:HIS21 3.0 31.6 1.0 C1A A:HEM501 3.0 31.2 1.0 C1B A:HEM501 3.0 30.2 1.0 C4D A:HEM501 3.1 32.0 1.0 C1D A:HEM501 3.1 32.2 1.0 C4C A:HEM501 3.1 35.9 1.0 C4B A:HEM501 3.1 32.3 1.0 C1C A:HEM501 3.2 33.8 1.0 CHB A:HEM501 3.4 32.5 1.0 CHA A:HEM501 3.4 33.2 1.0 CHD A:HEM501 3.4 34.6 1.0 CHC A:HEM501 3.5 32.5 1.0 ND1 A:HIS33 4.0 34.0 1.0 ND1 A:HIS21 4.0 33.7 1.0 CG A:HIS33 4.1 34.3 1.0 CG A:HIS21 4.1 29.7 1.0 C3A A:HEM501 4.2 33.8 1.0 C2A A:HEM501 4.2 33.5 1.0 C2B A:HEM501 4.3 28.9 1.0 C3B A:HEM501 4.3 31.8 1.0 C3D A:HEM501 4.3 33.1 1.0 C2D A:HEM501 4.3 32.2 1.0 C3C A:HEM501 4.4 33.0 1.0 C2C A:HEM501 4.4 32.9 1.0 CE2 A:PHE19 4.7 34.2 1.0 CD A:PRO4 4.7 33.6 1.0

Iron binding site 2 out of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:37.0 occ:1.00 FE A:HEM502 0.0 37.0 1.0 NE2 A:HIS34 1.9 33.9 1.0 NE2 A:HIS51 1.9 41.6 1.0 NA A:HEM502 2.0 35.3 1.0 NB A:HEM502 2.1 35.7 1.0 NC A:HEM502 2.1 34.6 1.0 ND A:HEM502 2.1 35.9 1.0 CE1 A:HIS34 2.7 31.2 1.0 CE1 A:HIS51 2.8 40.2 1.0 CD2 A:HIS51 3.0 40.6 1.0 C1A A:HEM502 3.0 34.9 1.0 CD2 A:HIS34 3.0 32.5 1.0 C4A A:HEM502 3.0 34.8 1.0 C1B A:HEM502 3.1 34.6 1.0 C4D A:HEM502 3.1 36.2 1.0 C1C A:HEM502 3.1 38.2 1.0 C4C A:HEM502 3.1 36.1 1.0 C1D A:HEM502 3.1 36.2 1.0 C4B A:HEM502 3.1 33.4 1.0 CHA A:HEM502 3.4 34.0 1.0 CHB A:HEM502 3.4 34.6 1.0 CHD A:HEM502 3.5 36.4 1.0 CHC A:HEM502 3.5 35.3 1.0 ND1 A:HIS34 3.8 27.8 1.0 ND1 A:HIS51 3.9 38.0 1.0 CG A:HIS34 4.1 32.9 1.0 CG A:HIS51 4.1 40.4 1.0 C3A A:HEM502 4.2 33.9 1.0 C2A A:HEM502 4.2 37.5 1.0 C2B A:HEM502 4.3 35.5 1.0 C2C A:HEM502 4.3 35.4 1.0 C3B A:HEM502 4.3 29.2 1.0 C3D A:HEM502 4.4 39.5 1.0 C2D A:HEM502 4.4 39.6 1.0 C3C A:HEM502 4.4 31.5 1.0

Iron binding site 3 out of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:34.9 occ:1.00 FE A:HEM503 0.0 34.9 1.0 NE2 A:HIS24 1.9 33.6 1.0 NE2 A:HIS83 1.9 42.8 1.0 NC A:HEM503 2.0 29.3 1.0 ND A:HEM503 2.1 30.8 1.0 NB A:HEM503 2.1 31.2 1.0 NA A:HEM503 2.1 30.7 1.0 CE1 A:HIS83 2.8 42.4 1.0 CE1 A:HIS24 2.9 31.8 1.0 CD2 A:HIS24 2.9 32.3 1.0 CD2 A:HIS83 3.0 38.0 1.0 C4C A:HEM503 3.0 27.6 1.0 C1C A:HEM503 3.0 31.1 1.0 C1D A:HEM503 3.1 32.2 1.0 C4D A:HEM503 3.1 32.5 1.0 C4B A:HEM503 3.1 33.5 1.0 C1B A:HEM503 3.1 31.6 1.0 C1A A:HEM503 3.1 32.8 1.0 C4A A:HEM503 3.1 32.9 1.0 CHD A:HEM503 3.4 29.9 1.0 CHC A:HEM503 3.4 33.4 1.0 CHA A:HEM503 3.5 30.9 1.0 CHB A:HEM503 3.5 33.7 1.0 ND1 A:HIS83 3.9 37.5 1.0 ND1 A:HIS24 4.0 30.6 1.0 CG A:HIS24 4.0 32.6 1.0 CG A:HIS83 4.1 38.6 1.0 C3C A:HEM503 4.2 29.9 1.0 C2C A:HEM503 4.2 30.5 1.0 C2D A:HEM503 4.3 30.6 1.0 C3D A:HEM503 4.3 31.1 1.0 C2B A:HEM503 4.3 34.3 1.0 C3B A:HEM503 4.3 37.1 1.0 C3A A:HEM503 4.3 32.4 1.0 C2A A:HEM503 4.3 34.9 1.0

Iron binding site 4 out of 4 in the Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome with Bound Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:38.2 occ:1.00 FE A:HEM504 0.0 38.2 1.0 NE2 A:HIS106 1.9 35.0 1.0 NE2 A:HIS69 1.9 34.4 1.0 NC A:HEM504 2.0 35.8 1.0 NB A:HEM504 2.1 34.3 1.0 NA A:HEM504 2.1 38.2 1.0 ND A:HEM504 2.2 37.0 1.0 CD2 A:HIS69 2.9 35.9 1.0 CE1 A:HIS106 2.9 36.1 1.0 CE1 A:HIS69 2.9 32.0 1.0 CD2 A:HIS106 2.9 32.3 1.0 C1C A:HEM504 3.0 35.4 1.0 C4C A:HEM504 3.0 36.7 1.0 C1B A:HEM504 3.1 33.5 1.0 C4A A:HEM504 3.1 36.8 1.0 C4B A:HEM504 3.1 38.3 1.0 C1D A:HEM504 3.1 34.1 1.0 C1A A:HEM504 3.2 37.0 1.0 C4D A:HEM504 3.2 36.5 1.0 CHC A:HEM504 3.4 35.4 1.0 CHB A:HEM504 3.4 37.6 1.0 CHD A:HEM504 3.4 34.5 1.0 CHA A:HEM504 3.5 34.3 1.0 ND1 A:HIS69 4.0 30.4 1.0 ND1 A:HIS106 4.0 33.8 1.0 CG A:HIS69 4.0 33.6 1.0 CG A:HIS106 4.0 33.1 1.0 C2C A:HEM504 4.2 34.1 1.0 C3C A:HEM504 4.2 35.5 1.0 C2B A:HEM504 4.3 34.9 1.0 C3A A:HEM504 4.3 36.1 1.0 C3B A:HEM504 4.3 35.4 1.0 C2A A:HEM504 4.4 34.6 1.0 C2D A:HEM504 4.4 33.8 1.0 C3D A:HEM504 4.4 32.3 1.0 CG2 A:ILE68 4.9 33.3 1.0

M.V.Pattarkine, J.J.Tanner, C.A.Bottoms, Y.-H.Lee, J.D.Wall. Desulfovibrio Desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes J.Mol.Biol. V. 358 1314 2006.
ISSN: ISSN 0022-2836
PubMed: 16580681
DOI: 10.1016/J.JMB.2006.03.010