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MolNFT v1 · #178655 · protein

Crystal structure of HRAS in complex with the RAS-binding and cysteine-rich domains of craf-kinase

7JHP · GTPase HRAS: “Crystal structure of HRAS in complex with the RAS-binding and cysteine-rich domains of craf-kinase”. X-ray diffraction, 3 ligands (GNP, ZN, MG), 1 pocket (best druggability 0.68). MolNFT v1 #178655 on GenesisL1: 3D…

PDB
7JHP
Type
protein
Length
292 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, ZN, MG
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTPase HRASprotein16639% helix, 28% strandP01112
CRAF proto-oncogene SERINE/THREONINE-protein kinase (EC 2.7.11.1)protein12613% helix, 40% strandP04049

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains C
  • 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12510.680.8444GNP, MG

Interfaces

1 interface between chains.

  • A–C · 1204 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 7JHP · Crystal structure of HRas in complex with the Ras-binding and cysteine-rich domains of… · 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 C against A, TM-score 0.81

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