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MolNFT v1 · #85428 · protein

Lipidic sponge phase crystal structure of the bl. viridis reaction centre solved using serial femtosecond crystallography

4AC5 · Photosynthetic reaction center cytochrome C subunit: “Lipidic sponge phase crystal structure of the bl. viridis reaction centre solved using serial femtosecond…”. X-ray diffraction, 6 ligands (HEM, BCB, BPB), 18 pockets (best…

PDB
4AC5
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
HEM, BCB, BPB, MQ7, NS5, FE2
Pockets
18 · best druggability 0.90

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CPhotosynthetic reaction center cytochrome C subunitprotein33238% helix, 5% strandP07173
HReaction center protein H chainprotein24322% helix, 23% strandP06008
LReaction center protein L chainprotein27355% helix, 4% strandP06009
MReaction center protein M chainprotein32356% helix, 6% strandP06010

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains C, L, M
  • BCB · Bacteriochlorophyll B · ligand · 4 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

18 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18690.900.93109HEM
22530.760.8942BCB
31070.750.9532empty
42640.730.8640MQ7
5510.720.9919empty

Interfaces

6 interfaces between chains.

  • L–M · 4480 Ų buried · 51 hydrogen bonds · protein-protein
  • H–M · 2953 Ų buried · 52 hydrogen bonds · protein-protein
  • C–M · 2819 Ų buried · 39 hydrogen bonds · protein-protein
  • H–L · 1870 Ų buried · 19 hydrogen bonds · protein-protein
  • C–L · 1759 Ų buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (formylation).

Compared structures

  • 4AC5 · Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using… · 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 0.97
  • 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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