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Crystal structure of the light-harvesting complex II (B800-850) from rhodospirillum molischianum

Analyse Crystal structure of the light-harvesting complex II (B800-850) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LGH
Type
protein
Length
396 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Light harvesting complex II
UniProt
P97253, P95673
Ligands
HTO, BCL, DET, LYC
Pockets
6 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, G, JLight harvesting complex IIprotein5686% helix, 0% strandP97253
B, E, H, KLight harvesting complex IIprotein4374% helix, 0% strandP95673

Ligands and binding sites

  • HTO · Heptane-1,2,3-triol · ligand · 24 copies · chains A, D, B, J, E, G, H, K
  • BCL · Bacteriochlorophyll A · ligand · 12 copies · chains A, B, D, E, G, H, J, K
  • DET · Undecylamine-N,N-dimethyl-N-oxide · ligand · 12 copies · chains A, B, D, E, G, H, J, K
  • LYC · Lycopene · ligand · 4 copies · chains A, B, D, E, G, H, J, K

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14380.630.7636LYC
24090.620.7640LYC
32400.510.7524empty
42450.510.7421empty
5820.330.7313empty

Interfaces

14 interfaces between chains.

  • D–E · 669 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 665 Ų buried · 6 hydrogen bonds · protein-protein
  • G–H · 664 Ų buried · 6 hydrogen bonds · protein-protein
  • J–K · 663 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 574 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 1LGH · Crystal structure of the light-harvesting complex II (B800-850) from rhodospirillum… · the same entry in another collection · chain K against K, TM-score 1.00
  • P95673 · AlphaFold monomer V2.0 prediction for light-harvesting protein B-800/850 beta 1 chain… · a predicted model of the same protein · chain B against A, TM-score 0.94
  • P97253 · AlphaFold monomer V2.0 prediction for light-harvesting protein B-800/850 alpha chain… · a predicted model of the same protein · chain A against A, TM-score 0.88

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