Iron in PDB 9cjf: Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft

All present enzymatic activity of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft:
1.18.6.1;

The structure of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft also contains other interesting chemical elements:

Molybdenum

(Mo)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iron atom in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft (pdb code 9cjf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 32 binding sites of Iron where determined in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft, PDB code: 9cjf:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:97.3 occ:1.00 FE1 A:ICS600 0.0 97.3 1.0 S2A A:ICS600 2.3 79.2 1.0 SG A:CYS275 2.3 51.6 1.0 S4A A:ICS600 2.3 81.1 1.0 S1A A:ICS600 2.3 86.1 1.0 FE4 A:ICS600 2.6 94.9 1.0 FE3 A:ICS600 2.7 89.4 1.0 FE2 A:ICS600 2.7 90.0 1.0 CX A:ICS600 3.4 81.3 1.0 CB A:CYS275 3.6 41.2 1.0 N A:LEU358 4.1 71.5 1.0 OG A:SER278 4.3 43.6 1.0 CB A:SER278 4.4 36.1 1.0 CB A:ARG277 4.6 43.2 1.0 CA A:LEU358 4.7 75.1 1.0 N A:SER278 4.7 38.5 1.0 CA A:CYS275 4.8 38.5 1.0 S3A A:ICS600 4.8 85.0 1.0 S2B A:ICS600 4.8 83.1 1.0 S5A A:ICS600 4.8 81.6 1.0 CE2 A:TYR229 4.9 26.4 1.0 FE7 A:ICS600 5.0 94.1 1.0 FE6 A:ICS600 5.0 92.7 1.0

Iron binding site 2 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:90.0 occ:1.00 FE2 A:ICS600 0.0 90.0 1.0 CX A:ICS600 2.0 81.3 1.0 S2B A:ICS600 2.2 83.1 1.0 S2A A:ICS600 2.2 79.2 1.0 S1A A:ICS600 2.3 86.1 1.0 FE6 A:ICS600 2.6 92.7 1.0 FE4 A:ICS600 2.7 94.9 1.0 FE1 A:ICS600 2.7 97.3 1.0 FE3 A:ICS600 2.7 89.4 1.0 FE5 A:ICS600 3.7 92.9 1.0 NE2 A:HIS195 3.7 32.4 1.0 FE7 A:ICS600 3.7 94.1 1.0 S4A A:ICS600 3.9 81.1 1.0 S1B A:ICS600 4.2 80.6 1.0 S3B A:ICS600 4.2 79.7 1.0 CE1 A:HIS195 4.4 35.4 1.0 S3A A:ICS600 4.5 85.0 1.0 S5A A:ICS600 4.5 81.6 1.0 CD2 A:HIS195 4.6 34.2 1.0 SG A:CYS275 4.7 51.6 1.0 CG1 A:VAL70 4.8 24.8 1.0

Iron binding site 3 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:89.4 occ:1.00 FE3 A:ICS600 0.0 89.4 1.0 CX A:ICS600 2.0 81.3 1.0 S5A A:ICS600 2.2 81.6 1.0 S4A A:ICS600 2.3 81.1 1.0 S2A A:ICS600 2.3 79.2 1.0 FE7 A:ICS600 2.6 94.1 1.0 FE4 A:ICS600 2.6 94.9 1.0 FE1 A:ICS600 2.7 97.3 1.0 FE2 A:ICS600 2.7 90.0 1.0 FE6 A:ICS600 3.7 92.7 1.0 FE5 A:ICS600 3.7 92.9 1.0 S1A A:ICS600 3.9 86.1 1.0 CE2 A:TYR229 4.1 26.4 1.0 CD2 A:TYR229 4.2 31.8 1.0 S4B A:ICS600 4.2 80.4 1.0 S3B A:ICS600 4.2 79.7 1.0 SG A:CYS275 4.3 51.6 1.0 S2B A:ICS600 4.5 83.1 1.0 NH2 A:ARG96 4.5 41.5 1.0 S3A A:ICS600 4.5 85.0 1.0 O A:HOH777 4.6 46.5 1.0 CB A:CYS275 4.8 41.2 1.0 CG1 A:VAL70 5.0 24.8 1.0

Iron binding site 4 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:94.9 occ:1.00 FE4 A:ICS600 0.0 94.9 1.0 CX A:ICS600 2.0 81.3 1.0 S3A A:ICS600 2.2 85.0 1.0 S4A A:ICS600 2.3 81.1 1.0 S1A A:ICS600 2.3 86.1 1.0 FE5 A:ICS600 2.6 92.9 1.0 FE3 A:ICS600 2.6 89.4 1.0 FE1 A:ICS600 2.6 97.3 1.0 FE2 A:ICS600 2.7 90.0 1.0 FE7 A:ICS600 3.7 94.1 1.0 FE6 A:ICS600 3.7 92.7 1.0 S2A A:ICS600 3.8 79.2 1.0 N A:LEU358 3.8 71.5 1.0 CB A:LEU358 3.9 77.2 1.0 S4B A:ICS600 4.2 80.4 1.0 S1B A:ICS600 4.3 80.6 1.0 CA A:LEU358 4.3 75.1 1.0 S5A A:ICS600 4.5 81.6 1.0 S2B A:ICS600 4.5 83.1 1.0 CD1 A:LEU358 4.5 78.1 1.0 SG A:CYS275 4.8 51.6 1.0 CG A:LEU358 4.8 75.7 1.0

Iron binding site 5 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:92.9 occ:1.00 FE5 A:ICS600 0.0 92.9 1.0 CX A:ICS600 2.0 81.3 1.0 S4B A:ICS600 2.3 80.4 1.0 S3A A:ICS600 2.3 85.0 1.0 S1B A:ICS600 2.3 80.6 1.0 FE4 A:ICS600 2.6 94.9 1.0 FE7 A:ICS600 2.6 94.1 1.0 FE6 A:ICS600 2.6 92.7 1.0 MO1 A:ICS600 2.7 111.9 1.0 FE3 A:ICS600 3.7 89.4 1.0 FE2 A:ICS600 3.7 90.0 1.0 S3B A:ICS600 3.9 79.7 1.0 ND1 A:HIS442 3.9 66.3 1.0 CE1 A:HIS442 4.1 65.4 1.0 S1A A:ICS600 4.3 86.1 1.0 S4A A:ICS600 4.3 81.1 1.0 CG2 A:ILE355 4.4 75.0 1.0 S2B A:ICS600 4.5 83.1 1.0 S5A A:ICS600 4.5 81.6 1.0 CG A:HIS442 4.6 66.5 1.0 NE2 A:HIS442 4.8 69.0 1.0

Iron binding site 6 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:92.7 occ:1.00 FE6 A:ICS600 0.0 92.7 1.0 CX A:ICS600 2.0 81.3 1.0 S2B A:ICS600 2.2 83.1 1.0 S3B A:ICS600 2.2 79.7 1.0 S1B A:ICS600 2.2 80.6 1.0 FE7 A:ICS600 2.6 94.1 1.0 FE2 A:ICS600 2.6 90.0 1.0 FE5 A:ICS600 2.6 92.9 1.0 MO1 A:ICS600 2.7 111.9 1.0 FE3 A:ICS600 3.7 89.4 1.0 FE4 A:ICS600 3.7 94.9 1.0 S4B A:ICS600 3.8 80.4 1.0 S2A A:ICS600 4.2 79.2 1.0 S1A A:ICS600 4.3 86.1 1.0 S5A A:ICS600 4.4 81.6 1.0 S3A A:ICS600 4.5 85.0 1.0 CG2 A:VAL70 4.5 31.4 1.0 OE1 A:GLN191 4.6 49.4 1.0 ND1 A:HIS442 4.8 66.3 1.0 NE2 A:GLN191 4.9 42.8 1.0 FE1 A:ICS600 5.0 97.3 1.0

Iron binding site 7 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:94.1 occ:1.00 FE7 A:ICS600 0.0 94.1 1.0 CX A:ICS600 2.0 81.3 1.0 S5A A:ICS600 2.2 81.6 1.0 S4B A:ICS600 2.2 80.4 1.0 S3B A:ICS600 2.3 79.7 1.0 FE3 A:ICS600 2.6 89.4 1.0 FE6 A:ICS600 2.6 92.7 1.0 FE5 A:ICS600 2.6 92.9 1.0 MO1 A:ICS600 2.7 111.9 1.0 NH2 A:ARG96 3.5 41.5 1.0 FE2 A:ICS600 3.7 90.0 1.0 FE4 A:ICS600 3.7 94.9 1.0 S1B A:ICS600 3.8 80.6 1.0 S2A A:ICS600 4.3 79.2 1.0 S4A A:ICS600 4.3 81.1 1.0 S2B A:ICS600 4.4 83.1 1.0 CZ A:ARG96 4.4 44.7 1.0 NE A:ARG96 4.5 47.9 1.0 S3A A:ICS600 4.5 85.0 1.0 FE1 A:ICS600 5.0 97.3 1.0

Iron binding site 8 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:42.9 occ:1.00 FE1 B:CLF601 0.0 42.9 1.0 SG A:CYS154 2.3 25.0 1.0 S2A B:CLF601 2.3 13.2 1.0 S3A B:CLF601 2.3 20.5 1.0 S1 B:CLF601 2.4 25.3 1.0 FE2 B:CLF601 2.5 47.8 1.0 FE4 B:CLF601 2.6 38.2 1.0 FE3 B:CLF601 2.8 39.7 1.0 CB A:CYS154 3.3 17.7 1.0 O B:HOH835 3.5 26.6 1.0 N A:CYS154 3.8 25.7 1.0 CA A:GLY185 3.8 13.5 1.0 S4A B:CLF601 3.8 18.9 1.0 N A:GLY185 4.0 20.3 1.0 SG B:CYS95 4.0 33.5 1.0 CA A:CYS154 4.1 22.7 1.0 FE8 B:CLF601 4.4 34.1 1.0 CB B:SER92 4.5 27.6 1.0 C A:GLY185 4.6 26.7 1.0 OG B:SER92 4.6 37.3 1.0 SG A:CYS88 4.6 30.6 1.0 FE5 B:CLF601 4.7 44.1 1.0 SG B:CYS153 4.7 36.2 1.0 N A:PHE186 4.8 27.6 1.0 C A:GLU153 4.9 21.8 1.0 FE6 B:CLF601 4.9 50.7 1.0 SG A:CYS62 5.0 21.9 1.0

Iron binding site 9 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:47.8 occ:1.00 FE2 B:CLF601 0.0 47.8 1.0 S4A B:CLF601 2.3 18.9 1.0 S2A B:CLF601 2.3 13.2 1.0 SG B:CYS95 2.3 33.5 1.0 S1 B:CLF601 2.5 25.3 1.0 FE1 B:CLF601 2.5 42.9 1.0 FE4 B:CLF601 2.6 38.2 1.0 FE3 B:CLF601 2.8 39.7 1.0 FE8 B:CLF601 3.0 34.1 1.0 N B:CYS95 3.1 23.3 1.0 CA B:CYS95 3.4 15.1 1.0 CB B:CYS95 3.4 17.7 1.0 C B:GLY94 3.8 20.8 1.0 S3A B:CLF601 3.8 20.5 1.0 FE5 B:CLF601 3.8 44.1 1.0 S4B B:CLF601 4.0 15.7 1.0 O B:HOH835 4.2 26.6 1.0 CA B:GLY94 4.3 7.7 1.0 O B:GLY94 4.4 30.0 1.0 SG A:CYS88 4.5 30.6 1.0 SG A:CYS154 4.5 25.0 1.0 FE6 B:CLF601 4.6 50.7 1.0 SG A:CYS62 4.7 21.9 1.0 CB B:SER92 4.7 27.6 1.0 N B:GLY94 4.8 26.0 1.0 C B:CYS95 4.9 19.7 1.0

Iron binding site 10 out of 32 in the Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Cryoem Structure of Alkaline-Inactivated Nitrogenase Mofe-Protein in Complex with Naft within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:39.7 occ:1.00 FE3 B:CLF601 0.0 39.7 1.0 S4A B:CLF601 2.3 18.9 1.0 SG A:CYS62 2.3 21.9 1.0 S2A B:CLF601 2.3 13.2 1.0 S3A B:CLF601 2.3 20.5 1.0 FE4 B:CLF601 2.7 38.2 1.0 FE2 B:CLF601 2.8 47.8 1.0 FE1 B:CLF601 2.8 42.9 1.0 CB A:CYS62 3.1 18.1 1.0 CA A:GLY185 3.7 13.5 1.0 CB A:TYR64 3.9 15.8 1.0 S1 B:CLF601 4.2 25.3 1.0 N A:GLY185 4.4 20.3 1.0 CD2 A:TYR64 4.4 20.4 1.0 CA B:GLY94 4.4 7.7 1.0 CG A:TYR64 4.5 23.2 1.0 C B:GLY94 4.6 20.8 1.0 CA A:CYS62 4.6 21.7 1.0 N B:CYS95 4.7 23.3 1.0 N A:TYR64 4.7 17.8 1.0 SG A:CYS154 4.7 25.0 1.0 C A:GLY185 4.7 26.7 1.0 SG A:CYS88 4.9 30.6 1.0 CA A:TYR64 4.9 17.5 1.0 CE2 B:TYR98 5.0 15.1 1.0

R.A.Warmack, D.C.Rees. Structural Evolution of Nitrogenase States Under Alkaline Turnover. Nat Commun V. 15 10472 2024.
ISSN: ESSN 2041-1723
PubMed: 39622820
DOI: 10.1038/S41467-024-54713-0