MolNFT v1 · #157173 · protein

Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - form 2

6MQN · GTPase KRAS: “Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - form 2”. X-ray diffraction, 1 ligand (GDP), 4 pockets (best druggability 0.68). MolNFT v1 #157173 on GenesisL1: 3D structure, binding…

PDB: 6MQN
Type: protein
Length: 472 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GDP
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase KRAS	protein	161	43% helix, 24% strand	P01116
B	GTPase KRAS	protein	157	41% helix, 27% strand	P01116
C	GTPase KRAS	protein	154	40% helix, 23% strand	P01116

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · 3 copies · chains A, B, C

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

Pockets

4 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	495	0.68	0.79	54	empty
2	186	0.47	0.75	29	GDP
3	112	0.46	0.79	20	empty
4	65	0.38	0.79	11	empty

Interfaces

3 interfaces between chains.

A–B · 308 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 250 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 245 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6MQN · Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2 · 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 6MQN · PDBe 6MQN · UniProt P01116

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