MolNFT v1 · #136158 · protein

Wild-type K-RAS(GCP) pH 6.5

5UK9 · GTPase KRAS: “Wild-type K-RAS(GCP) pH 6.5”. X-ray diffraction, 3 ligands (GDP, GCP, MG), 3 pockets (best druggability 0.57). MolNFT v1 #136158 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5UK9
Type: protein
Length: 327 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GDP, GCP, MG
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase KRAS	protein	164	37% helix, 26% strand	P01116
B	GTPase KRAS	protein	163	37% helix, 25% strand	P01116

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · chains A
GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains B
MG · Magnesium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	344	0.57	0.76	43	GOL
2	140	0.47	0.78	26	GDP, MG, GOL
3	108	0.38	0.75	24	GCP, MG

Interfaces

1 interface between chains.

A–B · 313 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5UK9 · Wild-type K-Ras(GCP) pH 6.5 · 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 5UK9 · PDBe 5UK9 · UniProt P01116

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