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Rba sphaeroides pufx-ko rc-LH1

Analyse Rba sphaeroides pufx-ko rc-LH1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7VOY
Type
protein
Length
2,479 residues
Chains
37
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Light-harvesting protein B-875 alpha chain; Light-harvesting protein B-875 beta chain…
UniProt
Q3J1A4, Q3J1A3, Q3J1A5, Q3J1A6, Q3J170
Ligands
BCL, BPH, U10, SPN, FE2
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 11 distinct chains · 55% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, F, I, K, O, Q, S, U, W, Y, 9, 4, 6, CLight-harvesting protein B-875 alpha chainprotein5470% helix, 0% strandQ3J1A4
B, t, 5, 3Light-harvesting protein B-875 beta chainprotein4571% helix, 0% strandQ3J1A3
E, G, J, N, P, R, T, V, XLight-harvesting protein B-875 beta chainprotein4374% helix, 0% strandQ3J1A3
ZLight-harvesting protein B-875 beta chainprotein4276% helix, 0% strandQ3J1A3
1Light-harvesting protein B-875 alpha chainprotein5370% helix, 0% strandQ3J1A4
2Light-harvesting protein B-875 beta chainprotein4080% helix, 0% strandQ3J1A3
7Light-harvesting protein B-875 alpha chainprotein4670% helix, 0% strandQ3J1A4
8, 0Light-harvesting protein B-875 beta chainprotein4473% helix, 0% strandQ3J1A3
LReaction center protein L chainprotein28157% helix, 2% strandQ3J1A5
MReaction center protein M chainprotein30560% helix, 2% strandQ3J1A6
HReaction center protein H chainprotein24721% helix, 21% strandQ3J170

Ligands and binding sites

  • BCL · Bacteriochlorophyll A · ligand · 38 copies · chains A, B, 9, D, E, F, G, I, J, K, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, 1, 2, C, 7, 8, 4, t, 0, 6, 5, 3, L, M
  • BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
  • U10 · Ubiquinone-10 · ligand · 2 copies · chains L, M
  • SPN · Speroidenone · ligand · chains Y, 1, 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

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19300.840.85106SPN
29130.790.8156BCL
34420.790.8775U10, BPH
45150.760.8349empty
56320.750.8158empty

Interfaces

105 interfaces between chains.

  • L–M · 4726 Ų buried · 54 hydrogen bonds · protein-protein
  • M–H · 2849 Ų buried · 32 hydrogen bonds · protein-protein
  • L–H · 1500 Ų buried · 13 hydrogen bonds · protein-protein
  • Q–R · 830 Ų buried · 8 hydrogen bonds · protein-protein
  • 6–5 · 830 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • Q3J1A6 · AlphaFold monomer V2.0 prediction for reaction center protein M chain (Q3J1A6) · a predicted model of the same protein · chain M against A, TM-score 0.97
  • Q3J1A5 · AlphaFold monomer V2.0 prediction for reaction center protein L chain (Q3J1A5) · a predicted model of the same protein · chain L against A, TM-score 0.95
  • Q3J170 · AlphaFold monomer V2.0 prediction for reaction center protein H chain (Q3J170) · a predicted model of the same protein · chain H against A, TM-score 0.92
  • Q3J1A3 · AlphaFold monomer V2.0 prediction for light-harvesting protein B-875 beta chain (Q3J1A3) · a predicted model of the same protein · chain 2 against A, TM-score 0.87
  • Q3J1A4 · AlphaFold monomer V2.0 prediction for light-harvesting protein B-875 alpha chain (Q3J1A4) · a predicted model of the same protein · chain A against A, TM-score 0.62

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