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Structure of M-lhcii and CP24 complexes in the stacked C2S2M2-type psii-lhcii supercomplex from pisum sativum

Analyse Structure of M-lhcii and CP24 complexes in the stacked C2S2M2-type psii-lhcii… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XNN
Type
protein
Length
854 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chlorophyll a-B binding protein 8, chloroplastic; Chlorophyll a-B binding protein…
UniProt
P27490, Q04918
Ligands
CLA, CHL, LUT, XAT, LHG, NEX, BCR
Pockets
20 · best druggability 0.66

Structure

electron microscopy · 4 distinct chains · 50% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Chlorophyll a-B binding protein 8, chloroplasticprotein21953% helix, 2% strandP27490
2Chlorophyll a-B binding protein 8, chloroplasticprotein21849% helix, 3% strandP27490
3Chlorophyll a-B binding protein, chloroplasticprotein22052% helix, 1% strandQ04918
4Light harvesting chlorophyll A/B-binding protein LHCB6, CP24protein19745% helix, 0% strand—

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 30 copies · chains 1, 3, 2, 4
  • CHL · Chlorophyll B · ligand · 23 copies · chains 1, 2, 3, 4
  • LUT · (3R,3'R,6S)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol · ligand · 7 copies · chains 1, 2, 3, 4
  • XAT · (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol · ligand · 4 copies · chains 1, 2, 3, 4
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 4 copies · chains 1, 2, 3, 4
  • NEX · (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R, 6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13, 15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol · ligand · 3 copies · chains 1, 2, 3
  • BCR · Beta-carotene · ligand · chains 4

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13720.660.7939CHL, CLA
22650.590.7931CLA
32180.590.8021CLA
42960.580.7734CHL, CLA
52440.580.7938empty

Interfaces

4 interfaces between chains.

  • 1–3 · 894 Ų buried · 2 hydrogen bonds · protein-protein
  • 2–3 · 809 Ų buried · 5 hydrogen bonds · protein-protein
  • 1–2 · 774 Ų buried · 6 hydrogen bonds · protein-protein
  • 3–4 · 444 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5XNN · Structure of M-LHCII and CP24 complexes in the stacked C2S2M2-type PSII-LHCII… · the same entry in another collection · chain 2 against 2, TM-score 1.00
  • P27490 · AlphaFold monomer V2.0 prediction for chlorophyll a-B binding protein 8, chloroplastic… · a predicted model of the same protein · chain 1 against A, TM-score 0.99

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