Iron in PDB 4wza: Asymmetric Nucleotide Binding in the Nitrogenase Complex

All present enzymatic activity of Asymmetric Nucleotide Binding in the Nitrogenase Complex:
1.18.6.1;

The structure of Asymmetric Nucleotide Binding in the Nitrogenase Complex, PDB code: 4wza was solved by F.A.Tezcan, J.T.Kaiser, 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)	19.84 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	110.201, 120.412, 264.318, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 18.7

The structure of Asymmetric Nucleotide Binding in the Nitrogenase Complex also contains other interesting chemical elements:

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

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the Asymmetric Nucleotide Binding in the Nitrogenase Complex (pdb code 4wza). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Asymmetric Nucleotide Binding in the Nitrogenase Complex, PDB code: 4wza:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:20.8 occ:1.00 FE1 A:ICS1496 0.0 20.8 1.0 S2A A:ICS1496 2.2 20.3 1.0 S1A A:ICS1496 2.3 18.7 1.0 S4A A:ICS1496 2.3 20.3 1.0 SG A:CYS275 2.4 21.8 1.0 FE4 A:ICS1496 2.7 19.5 1.0 FE3 A:ICS1496 2.7 18.2 1.0 FE2 A:ICS1496 2.7 18.4 1.0 CB A:CYS275 3.3 18.0 1.0 CX A:ICS1496 3.4 20.1 1.0 OG A:SER278 4.0 16.7 1.0 CB A:LEU358 4.1 19.2 1.0 CB A:SER278 4.4 18.0 1.0 CE2 A:TYR229 4.5 18.2 1.0 CA A:CYS275 4.5 17.3 1.0 CD2 A:LEU358 4.6 21.4 1.0 S2B A:ICS1496 4.8 20.2 1.0 S3A A:ICS1496 4.8 19.9 1.0 S5A A:ICS1496 4.8 18.0 1.0 CD2 A:TYR229 4.9 17.6 1.0 N A:SER278 4.9 18.4 1.0 N A:LEU358 5.0 20.1 1.0 CG A:LEU358 5.0 19.7 1.0

Iron binding site 2 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:18.4 occ:1.00 FE2 A:ICS1496 0.0 18.4 1.0 CX A:ICS1496 2.0 20.1 1.0 S2B A:ICS1496 2.2 20.2 1.0 S2A A:ICS1496 2.2 20.3 1.0 S1A A:ICS1496 2.3 18.7 1.0 FE6 A:ICS1496 2.6 17.9 1.0 FE4 A:ICS1496 2.7 19.5 1.0 FE1 A:ICS1496 2.7 20.8 1.0 FE3 A:ICS1496 2.7 18.2 1.0 FE5 A:ICS1496 3.7 17.6 1.0 FE7 A:ICS1496 3.7 18.0 1.0 S4A A:ICS1496 3.9 20.3 1.0 CZ A:PHE381 4.0 17.9 1.0 NE2 A:HIS195 4.1 21.7 1.0 CE1 A:HIS195 4.1 19.6 1.0 S1B A:ICS1496 4.2 16.7 1.0 S3B A:ICS1496 4.2 17.1 1.0 CE1 A:PHE381 4.4 16.6 1.0 S3A A:ICS1496 4.5 19.9 1.0 S5A A:ICS1496 4.5 18.0 1.0 CG1 A:VAL70 4.5 22.7 1.0 SG A:CYS275 4.7 21.8 1.0 CG2 A:VAL70 4.9 21.4 1.0 CB A:SER278 4.9 18.0 1.0

Iron binding site 3 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:18.2 occ:1.00 FE3 A:ICS1496 0.0 18.2 1.0 CX A:ICS1496 2.0 20.1 1.0 S5A A:ICS1496 2.2 18.0 1.0 S2A A:ICS1496 2.2 20.3 1.0 S4A A:ICS1496 2.3 20.3 1.0 FE7 A:ICS1496 2.6 18.0 1.0 FE4 A:ICS1496 2.6 19.5 1.0 FE1 A:ICS1496 2.7 20.8 1.0 FE2 A:ICS1496 2.7 18.4 1.0 FE6 A:ICS1496 3.7 17.9 1.0 FE5 A:ICS1496 3.7 17.6 1.0 S1A A:ICS1496 3.8 18.7 1.0 NH2 A:ARG96 4.1 19.8 1.0 CD2 A:TYR229 4.1 17.6 1.0 O A:HOH1583 4.2 20.6 1.0 S3B A:ICS1496 4.2 17.1 1.0 S4B A:ICS1496 4.3 15.8 1.0 CE2 A:TYR229 4.4 18.2 1.0 S2B A:ICS1496 4.5 20.2 1.0 S3A A:ICS1496 4.5 19.9 1.0 SG A:CYS275 4.9 21.8 1.0

Iron binding site 4 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:19.5 occ:1.00 FE4 A:ICS1496 0.0 19.5 1.0 CX A:ICS1496 1.9 20.1 1.0 S3A A:ICS1496 2.2 19.9 1.0 S1A A:ICS1496 2.3 18.7 1.0 S4A A:ICS1496 2.3 20.3 1.0 FE5 A:ICS1496 2.6 17.6 1.0 FE3 A:ICS1496 2.6 18.2 1.0 FE1 A:ICS1496 2.7 20.8 1.0 FE2 A:ICS1496 2.7 18.4 1.0 FE7 A:ICS1496 3.7 18.0 1.0 FE6 A:ICS1496 3.7 17.9 1.0 S2A A:ICS1496 3.8 20.3 1.0 CB A:LEU358 3.9 19.2 1.0 N A:LEU358 4.0 20.1 1.0 N A:GLY357 4.0 17.9 1.0 S4B A:ICS1496 4.3 15.8 1.0 S1B A:ICS1496 4.3 16.7 1.0 S5A A:ICS1496 4.5 18.0 1.0 S2B A:ICS1496 4.5 20.2 1.0 CA A:LEU358 4.5 20.0 1.0 N A:ARG359 4.6 17.0 1.0 C A:GLY357 4.6 23.3 1.0 CA A:GLY357 4.7 20.6 1.0 SG A:CYS275 4.7 21.8 1.0 CG A:ARG359 4.8 24.2 1.0 CD A:ARG359 4.8 18.0 1.0 CA A:GLY356 4.8 16.0 1.0 C A:GLY356 4.9 19.6 1.0 NE A:ARG359 5.0 20.6 1.0

Iron binding site 5 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:17.6 occ:1.00 FE5 A:ICS1496 0.0 17.6 1.0 CX A:ICS1496 2.0 20.1 1.0 S4B A:ICS1496 2.2 15.8 1.0 S1B A:ICS1496 2.3 16.7 1.0 S3A A:ICS1496 2.3 19.9 1.0 FE4 A:ICS1496 2.6 19.5 1.0 FE6 A:ICS1496 2.6 17.9 1.0 FE7 A:ICS1496 2.6 18.0 1.0 MO1 A:ICS1496 2.7 18.1 1.0 FE2 A:ICS1496 3.7 18.4 1.0 FE3 A:ICS1496 3.7 18.2 1.0 ND1 A:HIS442 3.8 23.2 1.0 S3B A:ICS1496 3.9 17.1 1.0 CA A:GLY356 4.1 16.0 1.0 N A:GLY356 4.2 20.0 1.0 CE1 A:HIS442 4.2 20.6 1.0 CG2 A:ILE355 4.2 15.8 1.0 S1A A:ICS1496 4.3 18.7 1.0 S4A A:ICS1496 4.4 20.3 1.0 S2B A:ICS1496 4.4 20.2 1.0 S5A A:ICS1496 4.5 18.0 1.0 O5 A:HCA1494 4.5 20.1 1.0 CD A:ARG359 4.6 18.0 1.0 O7 A:HCA1494 4.6 15.5 1.0 CG A:HIS442 4.7 16.2 1.0 N A:GLY357 4.7 17.9 1.0 CZ A:PHE381 4.9 17.9 1.0

Iron binding site 6 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:17.9 occ:1.00 FE6 A:ICS1496 0.0 17.9 1.0 CX A:ICS1496 2.0 20.1 1.0 S2B A:ICS1496 2.2 20.2 1.0 S1B A:ICS1496 2.2 16.7 1.0 S3B A:ICS1496 2.2 17.1 1.0 FE2 A:ICS1496 2.6 18.4 1.0 FE7 A:ICS1496 2.6 18.0 1.0 FE5 A:ICS1496 2.6 17.6 1.0 MO1 A:ICS1496 2.7 18.1 1.0 FE3 A:ICS1496 3.7 18.2 1.0 FE4 A:ICS1496 3.7 19.5 1.0 O7 A:HCA1494 3.7 15.5 1.0 S4B A:ICS1496 3.8 15.8 1.0 CZ A:PHE381 4.1 17.9 1.0 S2A A:ICS1496 4.2 20.3 1.0 O5 A:HCA1494 4.3 20.1 1.0 S1A A:ICS1496 4.3 18.7 1.0 CG2 A:VAL70 4.4 21.4 1.0 O2 A:HCA1494 4.5 21.3 1.0 S5A A:ICS1496 4.5 18.0 1.0 S3A A:ICS1496 4.5 19.9 1.0 CE2 A:PHE381 4.6 15.8 1.0 ND1 A:HIS442 4.7 23.2 1.0 C3 A:HCA1494 4.8 17.6 1.0 C7 A:HCA1494 4.9 20.6 1.0 C2 A:HCA1494 5.0 17.9 1.0

Iron binding site 7 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1496 b:18.0 occ:1.00 FE7 A:ICS1496 0.0 18.0 1.0 CX A:ICS1496 2.0 20.1 1.0 S5A A:ICS1496 2.2 18.0 1.0 S4B A:ICS1496 2.2 15.8 1.0 S3B A:ICS1496 2.3 17.1 1.0 FE3 A:ICS1496 2.6 18.2 1.0 FE6 A:ICS1496 2.6 17.9 1.0 FE5 A:ICS1496 2.6 17.6 1.0 MO1 A:ICS1496 2.7 18.1 1.0 O A:HOH1778 3.6 18.7 1.0 O5 A:HCA1494 3.6 20.1 1.0 FE4 A:ICS1496 3.7 19.5 1.0 FE2 A:ICS1496 3.7 18.4 1.0 S1B A:ICS1496 3.8 16.7 1.0 NE A:ARG96 4.1 17.7 1.0 NH2 A:ARG96 4.2 19.8 1.0 S2A A:ICS1496 4.3 20.3 1.0 S4A A:ICS1496 4.3 20.3 1.0 S2B A:ICS1496 4.4 20.2 1.0 S3A A:ICS1496 4.5 19.9 1.0 C7 A:HCA1494 4.6 20.6 1.0 O7 A:HCA1494 4.6 15.5 1.0 CZ A:ARG96 4.7 19.9 1.0 ND1 A:HIS442 4.7 23.2 1.0 CZ A:ARG359 4.8 22.8 1.0 NH1 A:ARG359 4.8 14.5 1.0

Iron binding site 8 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1498 b:16.6 occ:1.00 FE1 A:CLF1498 0.0 16.6 1.0 S3A A:CLF1498 2.3 16.6 1.0 S2A A:CLF1498 2.3 15.8 1.0 SG B:CYS95 2.4 14.5 1.0 S1 A:CLF1498 2.5 16.3 1.0 FE2 A:CLF1498 2.5 15.7 1.0 FE4 A:CLF1498 2.6 15.4 1.0 FE3 A:CLF1498 2.7 17.2 1.0 FE8 A:CLF1498 2.9 15.6 1.0 N B:CYS95 3.3 15.4 1.0 CA B:CYS95 3.6 13.6 1.0 CB B:CYS95 3.7 13.0 1.0 S4A A:CLF1498 3.8 14.6 1.0 FE5 A:CLF1498 3.8 15.7 1.0 S4B A:CLF1498 3.9 13.4 1.0 C B:GLY94 4.0 17.7 1.0 CA B:GLY94 4.4 15.8 1.0 O B:HOH1606 4.4 17.0 1.0 SG A:CYS154 4.5 15.9 1.0 FE6 A:CLF1498 4.6 16.8 1.0 SG A:CYS88 4.7 15.3 1.0 O B:GLY94 4.7 15.8 1.0 CB B:SER92 4.7 23.9 1.0 SG A:CYS62 4.8 14.0 1.0 O B:SER92 4.9 18.7 1.0 N B:GLY94 4.9 15.1 1.0

Iron binding site 9 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1498 b:15.7 occ:1.00 FE2 A:CLF1498 0.0 15.7 1.0 S4A A:CLF1498 2.3 14.6 1.0 S2A A:CLF1498 2.3 15.8 1.0 SG A:CYS154 2.4 15.9 1.0 S1 A:CLF1498 2.5 16.3 1.0 FE1 A:CLF1498 2.5 16.6 1.0 FE4 A:CLF1498 2.6 15.4 1.0 FE3 A:CLF1498 2.7 17.2 1.0 CB A:CYS154 3.5 14.0 1.0 S3A A:CLF1498 3.8 16.6 1.0 N A:CYS154 3.8 14.7 1.0 O B:HOH1606 3.8 17.0 1.0 CA A:GLY185 4.0 15.9 1.0 N A:GLY185 4.1 17.3 1.0 CA A:CYS154 4.2 13.7 1.0 SG B:CYS95 4.3 14.5 1.0 FE8 A:CLF1498 4.4 15.6 1.0 FE5 A:CLF1498 4.6 15.7 1.0 CB B:SER92 4.6 23.9 1.0 SG A:CYS88 4.7 15.3 1.0 C A:GLY185 4.7 20.2 1.0 FE6 A:CLF1498 4.8 16.8 1.0 OG B:SER92 4.9 40.7 1.0 SG A:CYS62 4.9 14.0 1.0 C A:GLU153 4.9 15.9 1.0 SG B:CYS153 5.0 14.9 1.0

Iron binding site 10 out of 40 in the Asymmetric Nucleotide Binding in the Nitrogenase Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Asymmetric Nucleotide Binding in the Nitrogenase Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1498 b:17.2 occ:1.00 FE3 A:CLF1498 0.0 17.2 1.0 S2A A:CLF1498 2.3 15.8 1.0 S3A A:CLF1498 2.3 16.6 1.0 S4A A:CLF1498 2.3 14.6 1.0 SG A:CYS62 2.3 14.0 1.0 FE4 A:CLF1498 2.7 15.4 1.0 FE1 A:CLF1498 2.7 16.6 1.0 FE2 A:CLF1498 2.7 15.7 1.0 CB A:CYS62 3.4 12.2 1.0 CA A:GLY185 3.9 15.9 1.0 CB A:TYR64 4.0 13.8 1.0 S1 A:CLF1498 4.2 16.3 1.0 CA B:GLY94 4.3 15.8 1.0 C B:GLY94 4.5 17.7 1.0 CD2 A:TYR64 4.6 12.4 1.0 CG A:TYR64 4.6 15.7 1.0 N A:GLY185 4.6 17.3 1.0 N B:CYS95 4.6 15.4 1.0 CA A:CYS62 4.8 20.4 1.0 C A:GLY185 4.8 20.2 1.0 SG A:CYS154 4.8 15.9 1.0 O B:HOH1608 4.9 16.5 1.0 N A:TYR64 4.9 18.0 1.0 SG A:CYS88 4.9 15.3 1.0

F.A.Tezcan, J.T.Kaiser, J.B.Howard, D.C.Rees. Structural Evidence For Asymmetrical Nucleotide Interactions in Nitrogenase. J.Am.Chem.Soc. V. 137 146 2015.
ISSN: ESSN 1520-5126
PubMed: 25522159
DOI: 10.1021/JA511945E