Iron in PDB 1g21: Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein

All present enzymatic activity of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein:
1.18.6.1;

The structure of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein, PDB code: 1g21 was solved by H.-J.Chiu, J.W.Peters, W.N.Lanzilotta, M.J.Ryle, L.C.Seefeldt, J.B.Howard, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	110.500, 121.500, 264.900, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 28.5

The structure of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Magnesium	(Mg)	4 atoms
Calcium	(Ca)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 38;

Binding sites:

The binding sites of Iron atom in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein (pdb code 1g21). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 38 binding sites of Iron where determined in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein, PDB code: 1g21:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:29.9 occ:1.00 FE1 A:CFM1496 0.0 29.9 1.0 S4A A:CFM1496 2.3 30.2 1.0 SG A:CYS275 2.3 33.2 1.0 S1A A:CFM1496 2.3 35.8 1.0 S2A A:CFM1496 2.3 25.0 1.0 FE4 A:CFM1496 2.7 30.8 1.0 FE3 A:CFM1496 2.8 24.9 1.0 FE2 A:CFM1496 2.8 26.0 1.0 CB A:CYS275 3.3 34.3 1.0 OG A:SER278 4.0 16.6 1.0 CB A:LEU358 4.1 30.1 1.0 CB A:SER278 4.3 17.2 1.0 CA A:CYS275 4.4 25.8 1.0 CE1 A:TYR229 4.4 27.9 1.0 CD2 A:LEU358 4.5 23.1 1.0 N A:SER278 4.7 40.3 1.0 CG A:LEU358 4.9 27.0 1.0 CD1 A:TYR229 4.9 32.5 1.0 S5 A:CFM1496 4.9 33.0 1.0 S3A A:CFM1496 4.9 21.1 1.0 FE5 A:CFM1496 5.0 25.2 1.0 S2B A:CFM1496 5.0 32.4 1.0

Iron binding site 2 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:26.0 occ:1.00 FE2 A:CFM1496 0.0 26.0 1.0 S2A A:CFM1496 2.3 25.0 1.0 S2B A:CFM1496 2.3 32.4 1.0 S1A A:CFM1496 2.4 35.8 1.0 FE3 A:CFM1496 2.4 24.9 1.0 FE6 A:CFM1496 2.5 25.5 1.0 FE4 A:CFM1496 2.7 30.8 1.0 FE1 A:CFM1496 2.8 29.9 1.0 FE5 A:CFM1496 3.3 25.2 1.0 FE7 A:CFM1496 3.7 18.1 1.0 S4A A:CFM1496 3.8 30.2 1.0 CZ A:PHE381 4.2 35.2 1.0 S1B A:CFM1496 4.2 12.7 1.0 S3B A:CFM1496 4.3 25.3 1.0 CE1 A:PHE381 4.4 34.5 1.0 OG A:SER278 4.4 16.6 1.0 S3A A:CFM1496 4.4 21.1 1.0 CE1 A:HIS195 4.4 37.3 1.0 S5 A:CFM1496 4.4 33.0 1.0 NE2 A:HIS195 4.8 38.3 1.0 SG A:CYS275 4.9 33.2 1.0

Iron binding site 3 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:24.9 occ:1.00 FE3 A:CFM1496 0.0 24.9 1.0 S2A A:CFM1496 2.3 25.0 1.0 S5 A:CFM1496 2.3 33.0 1.0 S4A A:CFM1496 2.4 30.2 1.0 FE2 A:CFM1496 2.4 26.0 1.0 FE4 A:CFM1496 2.6 30.8 1.0 FE7 A:CFM1496 2.7 18.1 1.0 FE1 A:CFM1496 2.8 29.9 1.0 FE5 A:CFM1496 3.3 25.2 1.0 FE6 A:CFM1496 3.5 25.5 1.0 S1A A:CFM1496 3.7 35.8 1.0 CD1 A:TYR229 4.2 32.5 1.0 S4B A:CFM1496 4.2 25.5 1.0 S3A A:CFM1496 4.3 21.1 1.0 NH2 A:ARG96 4.3 19.7 1.0 S3B A:CFM1496 4.4 25.3 1.0 S2B A:CFM1496 4.4 32.4 1.0 CE1 A:TYR229 4.5 27.9 1.0 CG A:TYR229 4.8 36.0 1.0 SG A:CYS275 4.9 33.2 1.0

Iron binding site 4 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:30.8 occ:1.00 FE4 A:CFM1496 0.0 30.8 1.0 S4A A:CFM1496 2.2 30.2 1.0 S3A A:CFM1496 2.3 21.1 1.0 S1A A:CFM1496 2.3 35.8 1.0 FE3 A:CFM1496 2.6 24.9 1.0 FE1 A:CFM1496 2.7 29.9 1.0 FE5 A:CFM1496 2.7 25.2 1.0 FE2 A:CFM1496 2.7 26.0 1.0 CB A:LEU358 3.6 30.1 1.0 S2A A:CFM1496 3.9 25.0 1.0 N A:LEU358 3.9 20.7 1.0 FE6 A:CFM1496 4.0 25.5 1.0 N A:GLY357 4.1 21.8 1.0 FE7 A:CFM1496 4.2 18.1 1.0 CA A:LEU358 4.3 23.3 1.0 C A:GLY357 4.4 21.2 1.0 CD2 A:LEU358 4.5 23.1 1.0 S1B A:CFM1496 4.5 12.7 1.0 CG A:ARG359 4.5 20.3 1.0 N A:ARG359 4.6 18.4 1.0 S4B A:CFM1496 4.6 25.5 1.0 CG A:LEU358 4.7 27.0 1.0 S5 A:CFM1496 4.7 33.0 1.0 CA A:GLY357 4.7 18.4 1.0 S2B A:CFM1496 4.8 32.4 1.0 SG A:CYS275 4.8 33.2 1.0

Iron binding site 5 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:25.2 occ:1.00 FE5 A:CFM1496 0.0 25.2 1.0 S1B A:CFM1496 2.2 12.7 1.0 S3A A:CFM1496 2.3 21.1 1.0 S4B A:CFM1496 2.4 25.5 1.0 FE6 A:CFM1496 2.4 25.5 1.0 FE4 A:CFM1496 2.7 30.8 1.0 FE7 A:CFM1496 2.8 18.1 1.0 MO1 A:CFM1496 2.9 4.2 1.0 FE3 A:CFM1496 3.3 24.9 1.0 FE2 A:CFM1496 3.3 26.0 1.0 S3B A:CFM1496 3.8 25.3 1.0 S1A A:CFM1496 4.2 35.8 1.0 ND1 A:HIS442 4.2 18.2 1.0 S2B A:CFM1496 4.3 32.4 1.0 S4A A:CFM1496 4.4 30.2 1.0 S5 A:CFM1496 4.5 33.0 1.0 N A:GLY356 4.5 27.9 1.0 CA A:GLY356 4.5 30.1 1.0 CG2 A:ILE355 4.6 29.0 1.0 CE1 A:HIS442 4.7 16.1 1.0 O7 A:HCA1494 4.8 21.5 1.0 CZ A:PHE381 4.8 35.2 1.0 CG A:ARG359 4.8 20.3 1.0 N A:GLY357 4.9 21.8 1.0 CD1 A:ILE355 4.9 19.0 1.0 O5 A:HCA1494 4.9 31.6 1.0 FE1 A:CFM1496 5.0 29.9 1.0

Iron binding site 6 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:25.5 occ:1.00 FE6 A:CFM1496 0.0 25.5 1.0 S1B A:CFM1496 2.3 12.7 1.0 S2B A:CFM1496 2.3 32.4 1.0 S3B A:CFM1496 2.3 25.3 1.0 FE5 A:CFM1496 2.4 25.2 1.0 FE2 A:CFM1496 2.5 26.0 1.0 FE7 A:CFM1496 2.7 18.1 1.0 MO1 A:CFM1496 2.7 4.2 1.0 FE3 A:CFM1496 3.5 24.9 1.0 S4B A:CFM1496 3.6 25.5 1.0 O7 A:HCA1494 3.7 21.5 1.0 FE4 A:CFM1496 4.0 30.8 1.0 CZ A:PHE381 4.0 35.2 1.0 S2A A:CFM1496 4.3 25.0 1.0 O5 A:HCA1494 4.3 31.6 1.0 S1A A:CFM1496 4.4 35.8 1.0 S3A A:CFM1496 4.5 21.1 1.0 S5 A:CFM1496 4.6 33.0 1.0 CE2 A:PHE381 4.7 35.4 1.0 OE1 A:GLN191 4.8 34.3 1.0 CG1 A:VAL70 4.8 15.1 1.0 CE1 A:PHE381 4.9 34.5 1.0 ND1 A:HIS442 4.9 18.2 1.0 O1 A:HCA1494 4.9 15.3 1.0

Iron binding site 7 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:18.1 occ:1.00 FE7 A:CFM1496 0.0 18.1 1.0 S3B A:CFM1496 2.3 25.3 1.0 S4B A:CFM1496 2.3 25.5 1.0 S5 A:CFM1496 2.3 33.0 1.0 FE6 A:CFM1496 2.7 25.5 1.0 FE3 A:CFM1496 2.7 24.9 1.0 FE5 A:CFM1496 2.8 25.2 1.0 MO1 A:CFM1496 3.0 4.2 1.0 NE A:ARG96 3.6 12.1 1.0 CD1 A:ILE231 3.6 27.7 1.0 O5 A:HCA1494 3.6 31.6 1.0 FE2 A:CFM1496 3.7 26.0 1.0 NH2 A:ARG96 3.9 19.7 1.0 S1B A:CFM1496 3.9 12.7 1.0 CZ A:ARG96 4.2 14.0 1.0 FE4 A:CFM1496 4.2 30.8 1.0 S2A A:CFM1496 4.4 25.0 1.0 CD A:ARG96 4.6 8.9 1.0 S2B A:CFM1496 4.6 32.4 1.0 O7 A:HCA1494 4.6 21.5 1.0 S4A A:CFM1496 4.7 30.2 1.0 S3A A:CFM1496 4.8 21.1 1.0 CG1 A:ILE231 4.8 28.2 1.0 C7 A:HCA1494 5.0 29.7 1.0

Iron binding site 8 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1498 b:23.6 occ:1.00 FE1 A:CLF1498 0.0 23.6 1.0 S2A A:CLF1498 2.2 30.2 1.0 S4A A:CLF1498 2.3 41.9 1.0 S1 A:CLF1498 2.3 44.4 1.0 SG B:CYS95 2.3 36.0 1.0 FE4 A:CLF1498 2.5 42.3 1.0 FE2 A:CLF1498 2.6 26.6 1.0 FE3 A:CLF1498 2.6 18.9 1.0 FE8 A:CLF1498 3.3 30.6 1.0 S3A A:CLF1498 3.7 36.9 1.0 OG B:SER92 3.8 42.2 1.0 CB B:CYS95 3.8 15.7 1.0 N B:CYS95 3.9 4.2 1.0 S4B A:CLF1498 4.0 26.7 1.0 CA B:CYS95 4.1 4.2 1.0 SG A:CYS88 4.2 37.6 1.0 SG A:CYS154 4.4 37.1 1.0 CB B:SER92 4.5 33.2 1.0 FE5 A:CLF1498 4.6 29.1 1.0 SG A:CYS62 4.6 39.0 1.0 C B:GLY94 4.6 4.2 1.0

Iron binding site 9 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1498 b:26.6 occ:1.00 FE2 A:CLF1498 0.0 26.6 1.0 S2A A:CLF1498 2.2 30.2 1.0 S3A A:CLF1498 2.3 36.9 1.0 S1 A:CLF1498 2.3 44.4 1.0 SG A:CYS154 2.3 37.1 1.0 FE1 A:CLF1498 2.6 23.6 1.0 FE3 A:CLF1498 2.7 18.9 1.0 FE4 A:CLF1498 2.7 42.3 1.0 CA A:GLY185 3.4 32.9 1.0 CB A:CYS154 3.9 27.4 1.0 N A:GLY185 3.9 28.7 1.0 S4A A:CLF1498 3.9 41.9 1.0 N A:CYS154 4.0 24.9 1.0 OG B:SER92 4.4 42.2 1.0 CA A:CYS154 4.4 24.3 1.0 C A:GLY185 4.5 34.9 1.0 SG B:CYS95 4.6 36.0 1.0 CB B:SER92 4.7 33.2 1.0 SG A:CYS62 4.7 39.0 1.0 C A:GLU153 4.8 23.5 1.0 N A:PHE186 4.8 41.3 1.0 FE8 A:CLF1498 4.9 30.6 1.0 SG A:CYS88 5.0 37.6 1.0 CB A:CYS62 5.0 25.4 1.0

Iron binding site 10 out of 38 in the Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1498 b:18.9 occ:1.00 FE3 A:CLF1498 0.0 18.9 1.0 S2A A:CLF1498 2.2 30.2 1.0 S3A A:CLF1498 2.3 36.9 1.0 S4A A:CLF1498 2.3 41.9 1.0 SG A:CYS62 2.3 39.0 1.0 FE1 A:CLF1498 2.6 23.6 1.0 FE4 A:CLF1498 2.7 42.3 1.0 FE2 A:CLF1498 2.7 26.6 1.0 CB A:CYS62 3.4 25.4 1.0 CB A:TYR64 3.6 9.3 1.0 S1 A:CLF1498 3.9 44.4 1.0 CA A:GLY185 4.1 32.9 1.0 CD2 A:TYR64 4.2 7.3 1.0 CG A:TYR64 4.3 7.7 1.0 SG A:CYS88 4.6 37.6 1.0 N A:TYR64 4.8 22.8 1.0 CA A:CYS62 4.8 23.3 1.0 N A:GLY185 4.8 28.7 1.0 SG B:CYS95 4.8 36.0 1.0 CA A:TYR64 4.8 17.1 1.0 CE1 B:TYR98 4.8 16.9 1.0 CA B:GLY94 4.9 4.2 1.0 N B:CYS95 4.9 4.2 1.0 SG A:CYS154 5.0 37.1 1.0

H.Chiu, J.W.Peters, W.N.Lanzilotta, M.J.Ryle, L.C.Seefeldt, J.B.Howard, D.C.Rees. Mgatp-Bound and Nucleotide-Free Structures of A Nitrogenase Protein Complex Between the Leu 127 Delta-Fe-Protein and the Mofe-Protein. Biochemistry V. 40 641 2001.
ISSN: ISSN 0006-2960
PubMed: 11170380
DOI: 10.1021/BI001645E