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Crystal structure analysis of the mutant reaction center pro L209-> tyr from the photosynthetic purple bacterium rhodobacter sphaeroides

Analyse Crystal structure analysis of the mutant reaction center pro L209-> tyr from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1F6N
Type
protein
Length
823 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reaction center protein L chain; Reaction center protein M chain; Reaction center protein…
UniProt
P02954, P02953, P11846
Ligands
BCL, BPH, U10, SPO, FE, PO4
Pockets
11 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LReaction center protein L chainprotein28161% helix, 3% strandP02954
MReaction center protein M chainprotein30262% helix, 3% strandP02953
HReaction center protein H chainprotein24022% helix, 23% strandP11846

Ligands and binding sites

  • BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
  • BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
  • U10 · Ubiquinone-10 · ligand · 2 copies · chains L, M
  • SPO · Spheroidene · ligand · chains M
  • FE · Fe (III) ion · metal · chains L, M
  • PO4 · Phosphate ion · ion · chains L, M, H
  • LDA · Lauryl dimethylamine-N-oxide · additive · 5 copies · chains L, M, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111660.820.8287BCL
21120.780.9834empty
32550.750.8843U10
41930.690.8639U10
51400.600.8418SPO

Interfaces

3 interfaces between chains.

  • L–M · 4619 Ų buried · 60 hydrogen bonds · protein-protein
  • M–H · 2874 Ų buried · 42 hydrogen bonds · protein-protein
  • L–H · 1617 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1F6N · Crystal structure analysis of the mutant reaction center pro L209-> tyr from the… · the same entry in another collection · chain L against L, TM-score 1.00

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