Crystal structure of the perchlorate reductase pcrab mutant W461E of pcra from azospira suillum ps

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 17% strand (DSSP).

Ligands and binding sites

• SF4 · Iron/sulfur cluster · ligand · 24 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
• MGD · 2-amino-5,6-dimercapto-7-methyl-3,7,8A,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide · ligand · 6 copies · chains A, C, E, G, I, K
• MD1 · Phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester · ligand · 6 copies · chains A, C, E, G, I, K
• F3S · FE3-S4 cluster · ligand · 6 copies · chains B, D, F, H, J, L
• MO · Molybdenum atom · metal · 6 copies · chains A, C, E, G, I, K
• EDO · 1,2-ethanediol · additive · 29 copies · chains A, B, E, F, C, D, G, H, I, J, K, L
• GOL · Glycerol · additive · 2 copies · chains A, C, E

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

25 interfaces between chains.

• A–B · 4480 Ų buried · 86 hydrogen bonds · protein-protein
• C–D · 4474 Ų buried · 75 hydrogen bonds · protein-protein
• I–J · 4466 Ų buried · 78 hydrogen bonds · protein-protein
• G–H · 4464 Ų buried · 80 hydrogen bonds · protein-protein
• K–L · 4454 Ų buried · 75 hydrogen bonds · protein-protein

Compared structures

• 5E7O · Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt G8QM55
• Every structure of UniProt G8QM54
• Elsewhere: RCSB PDB 5E7O · PDBe 5E7O · UniProt G8QM55 · UniProt G8QM54