MolNFT v1 · #106792 · protein

Crystal structure of a GDP-bound G12V oncogenic mutant of human GTPase KRAS

4TQ9: “Crystal structure of a GDP-bound G12V oncogenic mutant of human GTPase KRAS”. X-ray diffraction, 2 ligands (GDP, MG), 3 pockets (best druggability 0.66). MolNFT v1 #106792 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4TQ9
Type: protein
Length: 338 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GDP, MG
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	GTPase KRAS	protein	169	38% helix, 25% strand	P01116

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · 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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	569	0.66	0.76	67	empty
2	230	0.56	0.78	39	GDP, MG
3	198	0.54	0.79	39	GDP, MG

Interfaces

1 interface between chains.

A–B · 439 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4TQ9 · Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas · 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 4TQ9 · PDBe 4TQ9 · UniProt P01116

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