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Crystal structure of MYO5B globular tail domain in complex with active RAB11A

Analyse Crystal structure of MYO5B globular tail domain in complex with active RAB11A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LX0
Type
protein
Length
1,104 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related protein rab-11A; Unconventional myosin-vb
UniProt
P62491, Q9ULV0
Ligands
BEF, GDP, MG
Pockets
12 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 55% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CRAS-related protein rab-11Aprotein17136% helix, 27% strandP62491
BUnconventional myosin-vbprotein38260% helix, 1% strandQ9ULV0
DUnconventional myosin-vbprotein38059% helix, 2% strandQ9ULV0

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, C
  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13150.600.7835empty
23010.590.7833empty
32200.560.7930empty
42440.550.7836empty
51510.520.8029MG, BEF, GDP

Interfaces

5 interfaces between chains.

  • A–B · 1037 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 964 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 553 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 525 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 30 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4LX0 · Crystal structure of Myo5b globular tail domain in complex with active Rab11a · the same entry in another collection · chain A against A, TM-score 1.00
  • P62491 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-11A (P62491) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q9ULV0 · AlphaFold monomer V2.0 prediction for unconventional myosin-vb (Q9ULV0) · a predicted model of the same protein · chain B against A, TM-score 0.94

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