Research workbench

Crystal structure of KRASG13C in complex with nucleotide-based covalent inhibitor edagdp

Analyse Crystal structure of KRASG13C in complex with nucleotide-based covalent… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OK3
Type: protein
Length: 170 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isoform 2B of GTPase KRAS
EC: 3.6.5.2
Ligands: VJ8
Pockets: 1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoform 2B of GTPase KRAS (EC 3.6.5.2)	protein	170	40% helix, 23% strand	—

Ligands and binding sites

VJ8 · edaGDP · ligand · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	140	0.46	0.77	32	VJ8

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

7OK3 · Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor edaGDP · 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
Elsewhere: RCSB PDB 7OK3 · PDBe 7OK3

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.