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Structure of calm (picalm) in complex with VAMP8

Analyse Structure of calm (picalm) in complex with VAMP8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZYM
Type
protein
Length
836 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol-binding clathrin assembly protein, vesicle-associated membrane…
UniProt
O55012, O70404
Ligands
PO4
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPhosphatidylinositol-binding clathrin assembly protein, vesicle-associated membrane protein 8protein27876% helix, 0% strandO55012, O70404
CPhosphatidylinositol-binding clathrin assembly protein, vesicle-associated membrane protein 8protein28075% helix, 0% strandO55012, O70404

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 7 copies · chains A, C, B
  • GOL · Glycerol · additive · 6 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17240.710.7867PO4
21380.440.7629empty
31360.420.7525empty
4880.350.7419empty

Interfaces

2 interfaces between chains.

  • A–B · 1118 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 438 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3ZYM · Structure of CALM (PICALM) in complex with VAMP8 · the same entry in another collection · chain C against C, TM-score 1.00
  • O55012 · AlphaFold monomer V2.0 prediction for phosphatidylinositol-binding clathrin assembly… · a predicted model of the same protein · chain A against A, TM-score 0.94
  • O70404 · AlphaFold monomer V2.0 prediction for vesicle-associated membrane protein 8 (O70404) · a predicted model of the same protein · chain A against A, TM-score 0.14

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