MolNFT v1 · #137489 · protein

Crystal structure of human wt-KRAS in complex with GTP-gamma-S

5VQ6 · GTPase KRAS: “Crystal structure of human wt-KRAS in complex with GTP-gamma-S”. X-ray diffraction, 2 ligands (GSP, MG), 5 pockets (best druggability 0.42). MolNFT v1 #137489 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5VQ6
Type: protein
Length: 310 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GSP, MG
Pockets: 5 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	GTPase KRAS	protein	155	38% helix, 26% strand	P01116

Ligands and binding sites

GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	168	0.42	0.73	31	empty
2	98	0.37	0.75	22	GSP, MG
3	50	0.34	0.79	16	empty
4	89	0.34	0.74	22	GSP, MG
5	52	0.29	0.76	13	empty

Interfaces

1 interface between chains.

A–B · 929 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

5VQ6 · Crystal structure of human WT-KRAS in complex with GTP-gamma-S · 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 5VQ6 · PDBe 5VQ6 · UniProt P01116

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