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MolNFT v1 · #92210 · protein

Crystal structure of wt H-RAS-gppnhp bound to the rbd of RAF kinase

4G0N · GTPase HRAS: “Crystal structure of wt H-RAS-gppnhp bound to the rbd of RAF kinase”. X-ray diffraction, 3 ligands (GNP, CA, MG), 2 pockets (best druggability 0.68). MolNFT v1 #92210 on GenesisL1: 3D structure, binding sites and…

PDB
4G0N
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTPase HRAS; RAF proto-oncogene SERINE/THREONINE-protein kinase
EC
2.7.11.1
UniProt
P01112, P04049
Ligands
GNP, CA, MG
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTPase HRASprotein16437% helix, 27% strandP01112
BRAF proto-oncogene SERINE/THREONINE-protein kinase (EC 2.7.11.1)protein7822% helix, 37% strandP04049

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • MG · Magnesium ion · metal · chains A
  • ACT · Acetate ion · additive · chains A
  • DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13000.680.8346GNP, MG
2870.410.7827empty

Interfaces

1 interface between chains.

  • A–B · 668 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 4G0N · Crystal Structure of wt H-Ras-GppNHp bound to the RBD of Raf Kinase · the same entry in another collection · chain A against A, TM-score 1.00
  • P04049 · AlphaFold monomer V2.0 prediction for RAF proto-oncogene SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.95

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