MolNFT v1 · #156675 · protein

Crystal structure of wild-type KRAS bound to GDP and mg (space group C2)

6MBT · GTPase KRAS: “Crystal structure of wild-type KRAS bound to GDP and mg (space group C2)”. X-ray diffraction, 2 ligands (GDP, MG), 4 pockets (best druggability 0.66). MolNFT v1 #156675 on GenesisL1: 3D structure, binding sites and…

PDB: 6MBT
Type: protein
Length: 340 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GDP, MG
Pockets: 4 · 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	170	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

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	583	0.66	0.77	62	empty
2	202	0.52	0.77	40	GDP, MG
3	156	0.48	0.77	28	GDP, MG
4	56	0.35	0.79	16	empty

Interfaces

1 interface between chains.

A–B · 417 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6MBT · Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) · 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 6MBT · PDBe 6MBT · UniProt P01116

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