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Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster

Analyse Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NZJ
Type
protein
Length
546 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.4
Source
Methanosarcina acetivorans (strain ATCC 35395 / DSM 2834 / JCM 12185 / C2A)
Molecule
Nitrogenase iron protein
EC
1.18.6.1
UniProt
Q8TJ93
Ligands
SF4, SO4
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · resolution 2.4 · 1 distinct chain · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNitrogenase iron protein (EC 1.18.6.1)protein27341% helix, 16% strandQ8TJ93

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110810.790.8184SO4
22170.680.8544empty
31690.600.8336empty
4710.420.8022SF4

Interfaces

1 interface between chains.

  • A–B · 1773 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6NZJ · Structural analysis of a nitrogenase iron protein from methanosarcina acetivorans… · the same entry in another collection · chain A against A, TM-score 1.00

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