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Structure of deoxygenated hemocyanin from rapana thomasiana

Analyse Structure of deoxygenated hemocyanin from rapana thomasiana in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LNL
Type
protein
Length
1,224 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemocyanin
UniProt
P83040
Ligands
NAG, CU
Pockets
13 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CHemocyaninprotein40833% helix, 13% strandP83040

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, C
  • CU · Copper (II) ion · metal · 9 copies · chains A, B, C

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

Pockets

13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111870.750.78110empty
29050.740.7887empty
32630.660.8337empty
43420.650.8044empty
51510.520.7923empty

Interfaces

2 interfaces between chains.

  • B–C · 338 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 326 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

  • 1LNL · Structure of deoxygenated hemocyanin from Rapana thomasiana · the same entry in another collection · chain A against A, TM-score 1.00
  • P83040 · AlphaFold monomer V2.0 prediction for hemocyanin type 2 unit E (P83040) · a predicted model of the same protein · chain A against A, TM-score 0.99

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