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Crystal structure of the dominant negative S17N mutant of RAS

Analyse Crystal structure of the dominant negative S17N mutant of RAS in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3LO5
Type: protein
Length: 450 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase HRAS
UniProt: P01112
Ligands: GDP, CA, SO4
Pockets: 5 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase HRAS	protein	144	35% helix, 26% strand	P01112
C	GTPase HRAS	protein	155	35% helix, 25% strand	P01112
E	GTPase HRAS	protein	151	34% helix, 24% strand	P01112

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · 3 copies · chains A, C, E
CA · Calcium ion · metal · 4 copies · chains E
SO4 · Sulfate ion · ion · chains C

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

Pockets

5 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	240	0.58	0.79	28	empty
2	226	0.53	0.77	31	GDP
3	150	0.46	0.77	24	empty
4	58	0.30	0.75	14	empty
5	58	0.27	0.73	16	empty

Interfaces

2 interfaces between chains.

A–C · 918 Å² buried · 21 hydrogen bonds · protein-protein
A–E · 351 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3LO5 · Crystal Structure of the dominant negative S17N mutant of Ras · 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 P01112
Elsewhere: RCSB PDB 3LO5 · PDBe 3LO5 · UniProt P01112

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