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MolNFT v1 · #53068 · protein

Lipidic sponge phase crystal structure of photosynthetic reaction centre from blastochloris viridis (high dose)

2WJN · Photosynthetic reaction center cytochrome C subunit: “Lipidic sponge phase crystal structure of photosynthetic reaction centre from blastochloris viridis (high…”. X-ray diffraction, 7 ligands (HEC, BCB, MPG), 16 pockets (best…

PDB
2WJN
Type
protein
Length
1,171 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Photosynthetic reaction center cytochrome C subunit; Reaction center protein H chain…
UniProt
P07173, P06008, P06009, P06010
Ligands
HEC, BCB, MPG, BPB, MQ7, NS5, FE2
Pockets
16 · best druggability 0.87

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CPhotosynthetic reaction center cytochrome C subunitprotein33244% helix, 4% strandP07173
HReaction center protein H chainprotein24325% helix, 25% strandP06008
LReaction center protein L chainprotein27366% helix, 4% strandP06009
MReaction center protein M chainprotein32362% helix, 5% strandP06010

Ligands and binding sites

  • HEC · Heme C · ligand · 4 copies · chains C, L, M
  • BCB · Bacteriochlorophyll B · ligand · 4 copies · chains L, M
  • MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · ligand · 3 copies · chains L, M
  • BPB · Bacteriopheophytin B · ligand · 2 copies · chains L, M
  • MQ7 · Menaquinone-7 · ligand · chains L, M
  • NS5 · 15-cis-1,2-dihydroneurosporene · ligand · chains M
  • FE2 · Fe (II) ion · metal · chains L, M

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110040.870.88125HEC
211010.830.8495BCB
33410.750.8645BPB, MQ7
41000.740.9630empty
5520.700.9818empty

Interfaces

6 interfaces between chains.

  • L–M · 4426 Ų buried · 60 hydrogen bonds · protein-protein
  • H–M · 2870 Ų buried · 47 hydrogen bonds · protein-protein
  • C–M · 2739 Ų buried · 34 hydrogen bonds · protein-protein
  • H–L · 1796 Ų buried · 22 hydrogen bonds · protein-protein
  • C–L · 1731 Ų buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 cofactor, 1 modified (heme c attachment, formylation).

Compared structures

  • 2WJN · Lipidic sponge phase crystal structure of photosynthetic reaction centre from… · the same entry in another collection · chain M against M, TM-score 1.00
  • P07173 · AlphaFold monomer V2.0 prediction for photosynthetic reaction center cytochrome C subunit… · a predicted model of the same protein · chain C against A, TM-score 1.00
  • P06009 · AlphaFold monomer V2.0 prediction for reaction center protein L chain (P06009) · a predicted model of the same protein · chain L against A, TM-score 0.99
  • P06010 · AlphaFold monomer V2.0 prediction for reaction center protein M chain (P06010) · a predicted model of the same protein · chain M against A, TM-score 0.98
  • P06008 · AlphaFold monomer V2.0 prediction for reaction center protein H chain (P06008) · a predicted model of the same protein · chain H against A, TM-score 0.95

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