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MolNFT v1 · #75186 · protein

Crystal structure of M-RASD41E in complex with gppnhp (type 1)

3PIR · RAS-related protein M-RAS: “Crystal structure of M-RASD41E in complex with gppnhp (type 1)”. X-ray diffraction, 2 ligands (GNP, MG), 1 pocket (best druggability 0.47). MolNFT v1 #75186 on GenesisL1: 3D structure, binding sites and…

PDB
3PIR
Type
protein
Length
168 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related protein M-RAS
UniProt
O08989
Ligands
GNP, MG
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARAS-related protein M-RASprotein16837% helix, 26% strandO08989

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11920.470.7536GNP, MG

Compared structures

  • 3PIR · Crystal structure of M-RasD41E in complex with GppNHp (type 1) · the same entry in another collection · chain A against A, TM-score 1.00
  • O08989 · AlphaFold monomer V2.0 prediction for RAS-related protein M-RAS (O08989) · a predicted model of the same protein · chain A against A, TM-score 0.95

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