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Lipidic cubic phase crystal structure of the photosynthetic reaction centre from rhodobacter sphaeroides

Analyse Lipidic cubic phase crystal structure of the photosynthetic reaction centre… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1OGV
Type
protein
Length
819 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reaction center protein H chain; Reaction center protein L chain; Reaction center protein…
UniProt
P0C0Y7, P0C0Y8, P0C0Y9
Ligands
BCL, BPH, U10, CDL, FE2, CL
Pockets
10 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HReaction center protein H chainprotein23724% helix, 24% strandP0C0Y7
LReaction center protein L chainprotein28162% helix, 3% strandP0C0Y8
MReaction center protein M chainprotein30164% helix, 3% strandP0C0Y9

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 · chains L, M
  • CDL · Cardiolipin · ligand · chains H, L, M
  • FE2 · Fe (II) ion · metal · chains L, M
  • CL · Chloride ion · ion · chains M

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18160.820.8470BCL
2700.710.9628empty
3720.710.9517empty
42090.690.8629U10
51030.620.8726empty

Interfaces

3 interfaces between chains.

  • L–M · 4585 Ų buried · 74 hydrogen bonds · protein-protein
  • H–M · 2863 Ų buried · 39 hydrogen bonds · protein-protein
  • H–L · 1604 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1OGV · Lipidic cubic phase crystal structure of the photosynthetic reaction centre from… · 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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