Hexa-coordination of a bacteriochlorophyll cofactor in the rhodobacter sphaeroides reaction centre

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 10% strand (DSSP).

Ligands and binding sites

• BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
• HTO · Heptane-1,2,3-triol · ligand · 3 copies · chains L, M
• BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
• CDL · Cardiolipin · ligand · chains H, L, M
• SPN · Speroidenone · ligand · chains M
• U10 · Ubiquinone-10 · ligand · chains L, M
• NA · Sodium ion · metal · 2 copies · chains H, M
• FE · Fe (III) ion · metal · chains L, M
• LDA · Lauryl dimethylamine-N-oxide · additive · 6 copies · chains H, L, M
• GOL · Glycerol · additive · 2 copies · chains H, L

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

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• L–M · 4571 Ų buried · 60 hydrogen bonds · protein-protein
• H–M · 2841 Ų buried · 35 hydrogen bonds · protein-protein
• H–L · 1617 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

• 2WX5 · Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides… · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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• Elsewhere: RCSB PDB 2WX5 · PDBe 2WX5 · UniProt P0C0Y7 · UniProt P0C0Y8 · UniProt P0C0Y9