Iron in PDB 7bi7: An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co

The structure of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co, PDB code: 7bi7 was solved by L.P.Jenner, M.V.Cherrier, P.Amara, L.M.Rubio, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.84 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.87, 77.64, 90.8, 90, 128.85, 90
R / Rfree (%)	20.2 / 24

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co (pdb code 7bi7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co, PDB code: 7bi7:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:112.2 occ:0.70 FE1 A:SF4301 0.0 112.2 0.7 S4 A:SF4301 2.3 112.1 0.7 S2 A:SF4301 2.3 112.1 0.7 SG A:CYS38 2.3 77.7 1.0 S3 A:SF4301 2.3 112.0 0.7 FE2 A:SF4301 2.7 111.9 0.7 FE3 A:SF4301 2.8 112.3 0.7 FE4 A:SF4301 2.8 112.0 0.7 CB A:CYS38 3.7 73.7 1.0 S1 A:SF4301 3.9 111.9 0.7 CG1 A:ILE40 4.0 72.2 1.0 O A:ILE40 4.1 71.5 1.0 ND2 A:ASN119 4.2 73.5 1.0 CD1 A:ILE40 4.6 73.5 1.0 C A:ILE40 4.7 71.7 1.0 C A:GLY90 4.8 69.8 1.0 SG A:CYS45 4.8 88.7 1.0 O A:GLY90 4.8 69.6 1.0 SG A:CYS42 4.8 79.7 1.0 O1 A:NO3304 4.8 120.7 1.0 CA A:GLY90 4.9 69.0 1.0 N A:ILE40 4.9 71.9 1.0

Iron binding site 2 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:111.9 occ:0.70 FE2 A:SF4301 0.0 111.9 0.7 SG A:CYS45 2.2 88.7 1.0 S3 A:SF4301 2.3 112.0 0.7 S4 A:SF4301 2.3 112.1 0.7 S1 A:SF4301 2.3 111.9 0.7 CB A:CYS45 2.7 81.4 1.0 FE4 A:SF4301 2.7 112.0 0.7 FE1 A:SF4301 2.7 112.2 0.7 FE3 A:SF4301 2.8 112.3 0.7 S2 A:SF4301 3.9 112.1 0.7 CA A:CYS45 4.1 78.7 1.0 CB A:CYS42 4.3 73.5 1.0 NE A:ARG47 4.4 87.0 1.0 SG A:CYS42 4.7 79.7 1.0 SG A:CYS38 4.7 77.7 1.0 N A:CYS42 4.7 71.5 1.0 C A:CYS45 4.9 78.9 1.0

Iron binding site 3 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:112.3 occ:0.70 FE3 A:SF4301 0.0 112.3 0.7 S2 A:SF4301 2.3 112.1 0.7 S4 A:SF4301 2.3 112.1 0.7 S1 A:SF4301 2.3 111.9 0.7 FE1 A:SF4301 2.8 112.2 0.7 FE2 A:SF4301 2.8 111.9 0.7 FE4 A:SF4301 2.8 112.0 0.7 O1 A:NO3304 3.4 120.7 1.0 N A:NO3304 3.8 120.6 1.0 S3 A:SF4301 3.9 112.0 0.7 O3 A:NO3304 3.9 120.6 1.0 O A:GLY90 4.2 69.6 1.0 O A:PRO89 4.4 68.0 1.0 O2 A:NO3304 4.5 120.5 1.0 SG A:CYS45 4.6 88.7 1.0 SG A:CYS38 4.7 77.7 1.0 C A:GLY90 4.9 69.8 1.0 CB A:CYS45 4.9 81.4 1.0

Iron binding site 4 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:112.0 occ:0.70 FE4 A:SF4301 0.0 112.0 0.7 S1 A:SF4301 2.3 111.9 0.7 S3 A:SF4301 2.3 112.0 0.7 S2 A:SF4301 2.3 112.1 0.7 SG A:CYS42 2.3 79.7 1.0 FE2 A:SF4301 2.7 111.9 0.7 FE3 A:SF4301 2.8 112.3 0.7 FE1 A:SF4301 2.8 112.2 0.7 CB A:CYS42 3.1 73.5 1.0 S4 A:SF4301 3.9 112.1 0.7 N A:CYS42 4.1 71.5 1.0 CB A:CYS45 4.2 81.4 1.0 CA A:CYS42 4.2 72.1 1.0 CD1 A:ILE40 4.2 73.5 1.0 CG1 A:ILE40 4.4 72.2 1.0 SG A:CYS45 4.7 88.7 1.0 SG A:CYS38 5.0 77.7 1.0

Iron binding site 5 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:81.2 occ:0.90 FE1 A:CLF302 0.0 81.2 0.9 NE2 A:HIS31 2.1 56.1 1.0 S3A A:CLF302 2.3 81.0 0.9 S2A A:CLF302 2.3 80.8 0.9 S1 A:CLF302 2.4 82.1 0.9 FE2 A:CLF302 2.6 81.4 0.9 FE4 A:CLF302 2.7 81.4 0.9 FE3 A:CLF302 2.8 80.7 0.9 CE1 A:HIS31 3.1 56.5 1.0 CD2 A:HIS31 3.1 55.3 1.0 S4A A:CLF302 3.8 80.9 0.9 CD A:ARG29 4.1 59.2 1.0 CG A:HIS31 4.2 55.0 1.0 ND1 A:HIS31 4.2 56.0 1.0 FE8 A:CLF302 4.4 82.6 0.9 CG A:ARG29 4.4 59.6 1.0 S A:H2S303 4.7 63.1 0.8 CB A:ALA87 4.7 59.6 1.0 SG A:CYS18 4.8 69.7 1.0 FE5 A:CLF302 4.8 83.0 0.9 SG A:CYS115 4.8 77.5 1.0 CA A:GLY85 4.9 64.4 1.0 FE6 A:CLF302 4.9 83.3 0.9

Iron binding site 6 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:81.4 occ:0.90 FE2 A:CLF302 0.0 81.4 0.9 S4A A:CLF302 2.3 80.9 0.9 S2A A:CLF302 2.3 80.8 0.9 S A:H2S303 2.3 63.1 0.8 S1 A:CLF302 2.5 82.1 0.9 FE1 A:CLF302 2.6 81.2 0.9 FE4 A:CLF302 2.6 81.4 0.9 FE3 A:CLF302 2.8 80.7 0.9 FE8 A:CLF302 2.9 82.6 0.9 S3A A:CLF302 3.8 81.0 0.9 NZ A:LYS192 3.9 70.0 1.0 FE5 A:CLF302 4.0 83.0 0.9 S4B A:CLF302 4.1 82.7 0.9 OG1 A:THR139 4.3 64.8 1.0 NE2 A:HIS31 4.3 56.1 1.0 SG A:CYS18 4.5 69.7 1.0 FE6 A:CLF302 4.6 83.3 0.9 SG A:CYS115 4.8 77.5 1.0 CE1 A:HIS31 4.8 56.5 1.0 CB A:CYS18 4.9 67.9 1.0 CB A:SER117 5.0 72.5 1.0

Iron binding site 7 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:80.7 occ:0.90 FE3 A:CLF302 0.0 80.7 0.9 SG A:CYS115 2.2 77.5 1.0 S4A A:CLF302 2.3 80.9 0.9 S2A A:CLF302 2.3 80.8 0.9 S3A A:CLF302 2.3 81.0 0.9 FE4 A:CLF302 2.8 81.4 0.9 FE2 A:CLF302 2.8 81.4 0.9 FE1 A:CLF302 2.8 81.2 0.9 CB A:CYS115 3.6 72.3 1.0 NE2 A:HIS16 4.2 74.6 1.0 CE1 A:HIS16 4.2 74.8 1.0 S1 A:CLF302 4.2 82.1 0.9 C A:CYS115 4.4 71.2 1.0 N A:MET116 4.5 70.5 1.0 OG1 A:THR139 4.5 64.8 1.0 CA A:CYS115 4.6 71.1 1.0 O A:CYS115 4.7 71.7 1.0 NE2 A:HIS31 4.8 56.1 1.0 NZ A:LYS192 4.9 70.0 1.0 SG A:CYS18 4.9 69.7 1.0 S A:H2S303 4.9 63.1 0.8 CA A:MET116 4.9 70.7 1.0 CA A:GLY85 4.9 64.4 1.0 CG1 A:VAL83 5.0 73.7 1.0

Iron binding site 8 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:81.4 occ:0.90 FE4 A:CLF302 0.0 81.4 0.9 S4A A:CLF302 2.3 80.9 0.9 SG A:CYS18 2.3 69.7 1.0 S3A A:CLF302 2.3 81.0 0.9 S1 A:CLF302 2.4 82.1 0.9 FE2 A:CLF302 2.6 81.4 0.9 FE1 A:CLF302 2.7 81.2 0.9 FE3 A:CLF302 2.8 80.7 0.9 FE5 A:CLF302 3.1 83.0 0.9 CB A:CYS18 3.2 67.9 1.0 S2A A:CLF302 3.9 80.8 0.9 FE8 A:CLF302 3.9 82.6 0.9 CE1 A:HIS16 3.9 74.8 1.0 S4B A:CLF302 4.3 82.7 0.9 CD A:ARG29 4.4 59.2 1.0 NE2 A:HIS31 4.5 56.1 1.0 S A:H2S303 4.5 63.1 0.8 CA A:CYS18 4.6 67.9 1.0 FE6 A:CLF302 4.6 83.3 0.9 SG A:CYS115 4.6 77.5 1.0 NE2 A:HIS16 4.6 74.6 1.0 CG A:ARG29 4.7 59.6 1.0 NZ A:LYS192 4.8 70.0 1.0 ND1 A:HIS16 4.9 74.4 1.0 N A:CYS18 4.9 68.3 1.0

Iron binding site 9 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:83.0 occ:0.90 FE5 A:CLF302 0.0 83.0 0.9 S4B A:CLF302 2.2 82.7 0.9 SG A:CYS18 2.3 69.7 1.0 S2B A:CLF302 2.5 82.8 0.9 FE8 A:CLF302 2.6 82.6 0.9 FE6 A:CLF302 2.6 83.3 0.9 S1 A:CLF302 2.6 82.1 0.9 FE7 A:CLF302 2.8 82.7 0.9 FE4 A:CLF302 3.1 81.4 0.9 CB A:CYS18 3.3 67.9 1.0 S3B A:CLF302 3.9 82.7 0.9 FE2 A:CLF302 4.0 81.4 0.9 NE2 A:HIS24 4.0 84.8 1.0 S4A A:CLF302 4.3 80.9 0.9 CA A:CYS18 4.3 67.9 1.0 S A:H2S303 4.4 63.1 0.8 SG A:CYS263 4.6 68.5 1.0 FE1 A:CLF302 4.8 81.2 0.9 CD2 A:HIS24 4.8 83.7 1.0 CE2 A:PHE257 4.9 64.9 1.0 CE1 A:HIS24 5.0 84.9 1.0

Iron binding site 10 out of 24 in the An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:83.3 occ:0.90 FE6 A:CLF302 0.0 83.3 0.9 SG A:CYS263 2.3 68.5 1.0 S3B A:CLF302 2.3 82.7 0.9 FE8 A:CLF302 2.5 82.6 0.9 S2B A:CLF302 2.5 82.8 0.9 S1 A:CLF302 2.6 82.1 0.9 FE5 A:CLF302 2.6 83.0 0.9 FE7 A:CLF302 2.8 82.7 0.9 N A:CYS263 3.7 63.0 1.0 S4B A:CLF302 3.8 82.7 0.9 CB A:CYS263 3.8 64.8 1.0 NH1 A:ARG29 4.1 62.0 1.0 CA A:CYS263 4.3 63.8 1.0 N A:GLN262 4.6 62.2 1.0 SG A:CYS18 4.6 69.7 1.0 FE4 A:CLF302 4.6 81.4 0.9 O A:CYS263 4.6 63.6 1.0 FE2 A:CLF302 4.6 81.4 0.9 C A:GLN262 4.7 62.8 1.0 OG1 A:THR261 4.7 65.7 1.0 CE1 A:HIS31 4.7 56.5 1.0 S A:H2S303 4.7 63.1 0.8 CA A:GLN262 4.8 62.5 1.0 SG A:CYS260 4.8 62.3 1.0 FE1 A:CLF302 4.9 81.2 0.9 C A:CYS263 4.9 63.7 1.0

L.P.Jenner, M.V.Cherrier, P.Amara, L.M.Rubio, Y.Nicolet. An Unexpected P-Cluster Like Intermediate En Route to the Nitrogenase Femo-Co Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D1SC00289A