MolNFT v1 · #150084 · protein

Crystal structure of KRAS G12D (gppcp) in complex with 18

6GJ6 · GTPase KRAS: “Crystal structure of KRAS G12D (gppcp) in complex with 18”. X-ray diffraction, 4 ligands (GCP, EZZ, MG), 1 pocket (best druggability 0.56). MolNFT v1 #150084 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6GJ6
Type: protein
Length: 163 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GCP, EZZ, MG, NO3
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase KRAS	protein	163	39% helix, 26% strand	P01116

Ligands and binding sites

GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
EZZ · (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one · ligand · chains A
MG · Magnesium ion · metal · chains A
NO3 · Nitrate ion · ion · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	182	0.56	0.80	29	MG, GCP

Compared structures

6GJ6 · Crystal structure of KRAS G12D (gppcp) in complex with 18 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P01116
Elsewhere: RCSB PDB 6GJ6 · PDBe 6GJ6 · UniProt P01116

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