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Crystal structure of a multilayer-packed major light-harvesting complex

Analyse Crystal structure of a multilayer-packed major light-harvesting complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LCZ
Type
protein
Length
624 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major chlorophyll A/B binding protein LHCB1.3
UniProt
B3WFZ6
Ligands
CLA, CHL, LUT, NEX, LHG, ZN, NA
Pockets
14 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CMajor chlorophyll A/B binding protein LHCB1.3protein20853% helix, 2% strandB3WFZ6

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 24 copies · chains A, C, B
  • CHL · Chlorophyll B · ligand · 18 copies · chains A, B, C
  • LUT · (3R,3'R,6S)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol · ligand · 6 copies · chains A, B, C
  • 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 A, B, C
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 3 copies · chains A, B, C
  • ZN · Zinc ion · metal · 5 copies · chains A, B, C
  • NA · Sodium ion · metal · 5 copies · chains B, A, C
  • CAC · Cacodylate ion · additive · 3 copies · chains A, B, C

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

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12870.590.7833CLA
23370.580.7634CHL, CLA
33280.580.7636CHL, CLA
43060.570.7630CHL, CLA
52490.560.7731CLA

Interfaces

3 interfaces between chains.

  • A–B · 483 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 477 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 475 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 4LCZ · Crystal structure of a multilayer-packed major light-harvesting complex · the same entry in another collection · chain A against A, TM-score 1.00

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