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Crystal structure of human RAB5A in complex with the C2H2 zinc finger of EEA1

Analyse Crystal structure of human RAB5A in complex with the C2H2 zinc finger of EEA1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3MJH
Type
protein
Length
402 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related protein rab-5A; Early endosome antigen 1
EC
3.6.5.2
UniProt
P20339, Q15075
Ligands
GTP, MG, ZN
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 37% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARAS-related protein rab-5A (EC 3.6.5.2)protein16838% helix, 29% strandP20339
BEarly endosome antigen 1protein3432% helix, 18% strandQ15075
CRAS-related protein rab-5A (EC 3.6.5.2)protein16737% helix, 28% strandP20339
DEarly endosome antigen 1protein3333% helix, 18% strandQ15075

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C
  • ZN · Zinc ion · metal · 2 copies · chains B, D

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17360.750.8064GTP, MG
22160.510.7621empty
31400.490.7925GTP, MG

Interfaces

4 interfaces between chains.

  • C–D · 651 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 619 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 385 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 303 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3MJH · Crystal Structure of Human Rab5A in complex with the C2H2 Zinc Finger of EEA1 · the same entry in another collection · chain D against D, TM-score 1.00
  • P20339 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-5A (P20339) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • Q15075 · AlphaFold monomer V2.0 prediction for early endosome antigen 1 (Q15075) · a predicted model of the same protein · chain D against A, TM-score 0.50

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