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MolNFT v1 · #29155 · protein

Gppnhp-bound RAB21 GTPase at 2.05 a resolution

1YZT · RAS-related protein rab-21: “Gppnhp-bound RAB21 GTPase at 2.05 a resolution”. X-ray diffraction, 2 ligands (GNP, MG), 2 pockets (best druggability 0.57). MolNFT v1 #29155 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1YZT
Type
protein
Length
309 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related protein rab-21
UniProt
Q9UL25
Ligands
GNP, MG
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARAS-related protein rab-21protein15539% helix, 30% strandQ9UL25
BRAS-related protein rab-21protein15438% helix, 31% strandQ9UL25

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.570.8328MG, GNP
21580.560.8127MG, GNP

Compared structures

  • 1YZT · GppNHp-Bound Rab21 GTPase at 2.05 A Resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UL25 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-21 (Q9UL25) · a predicted model of the same protein · chain B against A, TM-score 0.98

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