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Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP co-crystallization with spheroidene

Analyse Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Z1J
Type
protein
Length
823 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.1
Source
Rhodobacter sphaeroides
Molecule
Reaction center protein H chain; Reaction center protein L chain; Reaction center protein…
UniProt
P0C0Y7, P0C0Y8, P0C0Y9
Ligands
UNL, BCL, BPH, NKP, U10, SPN, FE, PO4
Pockets
12 · best druggability 0.82

Structure

x-ray diffraction · resolution 2.1 · 3 distinct chains · 52% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HReaction center protein H chainprotein24124% helix, 25% strandP0C0Y7
LReaction center protein L chainprotein28162% helix, 4% strandP0C0Y8
MReaction center protein M chainprotein30164% helix, 4% strandP0C0Y9

Ligands and binding sites

  • UNL · Unknown ligand · ligand · 5 copies · chains L, M, H
  • BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
  • BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
  • NKP · (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate · ligand · 2 copies · chains M, H, L
  • U10 · Ubiquinone-10 · ligand · chains L, M
  • SPN · Speroidenone · ligand · chains M
  • FE · Fe (III) ion · metal · chains L, M
  • PO4 · Phosphate ion · ion · chains H, M
  • LDA · Lauryl dimethylamine-N-oxide · additive · 4 copies · chains H, M, L
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains L, M

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18480.820.8474BCL
2670.710.9725empty
31710.680.8728U10
41390.600.8424OLC
51070.570.8421empty

Interfaces

3 interfaces between chains.

  • L–M · 4599 Ų buried · 71 hydrogen bonds · protein-protein
  • H–M · 2904 Ų buried · 46 hydrogen bonds · protein-protein
  • H–L · 1613 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6Z1J · Photosynthetic reaction center from rhodobacter sphaeroides strain rv lsp… · the same entry in another collection · chain H against H, TM-score 1.00
  • P0C0Y9 · AlphaFold monomer V2.0 prediction for reaction center protein M chain (P0C0Y9) · a predicted model of the same protein · chain M against A, TM-score 0.99
  • P0C0Y8 · AlphaFold monomer V2.0 prediction for reaction center protein L chain (P0C0Y8) · a predicted model of the same protein · chain L against A, TM-score 0.99
  • P0C0Y7 · AlphaFold monomer V2.0 prediction for reaction center protein H chain (P0C0Y7) · a predicted model of the same protein · chain H against A, TM-score 0.98

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