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MolNFT v1 · #32157 · protein

Pea light-harvesting complex II at 2.5 ångström resolution

2BHW · Chlorophyll a-B binding protein AB80: “Pea light-harvesting complex II at 2.5 ångström resolution”. X-ray diffraction, 7 ligands (CLA, CHL, LUX), 19 pockets (best druggability 0.58). MolNFT v1 #32157 on GenesisL1: 3D structure…

PDB
2BHW
Type
protein
Length
669 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chlorophyll a-B binding protein AB80
UniProt
P07371
Ligands
CLA, CHL, LUX, NEX, XAT, LHG, DGD
Pockets
19 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CChlorophyll a-B binding protein AB80protein22350% helix, 4% strandP07371

Ligands and binding sites

  • CLA · Chlorophyll A · ligand · 24 copies · chains A, C, B
  • CHL · Chlorophyll B · ligand · 18 copies · chains A, C, B
  • LUX · (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-didehydro-5',6',7', 8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-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
  • 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 · 3 copies · chains A, C, B
  • LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 3 copies · chains A, B, C
  • DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13130.580.7633CLA, CHL
22400.570.7925empty
32870.570.7733CLA, CHL
42460.570.7824CLA
53260.550.7535CLA, CHL

Interfaces

3 interfaces between chains.

  • A–B · 777 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 774 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 774 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 2BHW · Pea light-harvesting complex II at 2.5 ångström resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P07371 · AlphaFold monomer V2.0 prediction for chlorophyll a-B binding protein AB80, chloroplastic… · a predicted model of the same protein · chain C against A, TM-score 0.99

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