MolNFT v1 · #156674 · protein

Crystal structure of mg-free wild-type KRAS (2-166) bound to gmppnp in the state 1 conformation

6MBQ · GTPase KRAS: “Crystal structure of mg-free wild-type KRAS (2-166) bound to gmppnp in the state 1 conformation”. X-ray diffraction, 2 ligands (GNP, NA), 1 pocket (best druggability 0.38). MolNFT v1 #156674 on GenesisL1: 3D structure…

PDB: 6MBQ
Type: protein
Length: 167 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GNP, NA
Pockets: 1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase KRAS	protein	167	36% helix, 25% strand	P01116

Ligands and binding sites

GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
NA · Sodium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 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	107	0.38	0.75	22	GNP

Compared structures

6MBQ · Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1… · 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 6MBQ · PDBe 6MBQ · UniProt P01116

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