MolNFT v1 · #101811 · protein

Structure of mus musculus rheb G63A mutant bound to GTP

4O2L · GTP-binding protein rheb: “Structure of mus musculus rheb G63A mutant bound to GTP”. X-ray diffraction, 2 ligands (GTP, MG), 8 pockets (best druggability 0.52). MolNFT v1 #101811 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4O2L
Type: protein
Length: 334 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTP-binding protein rheb
UniProt: Q921J2
Ligands: GTP, MG
Pockets: 8 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	GTP-binding protein rheb	protein	167	34% helix, 27% strand	Q921J2

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
ACT · Acetate ion · additive · chains B

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

Pockets

8 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	148	0.52	0.80	30	GTP, MG
2	146	0.52	0.80	29	GTP, MG
3	122	0.43	0.77	21	empty
4	95	0.36	0.74	18	empty
5	88	0.33	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 429 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4O2L · Structure of Mus musculus Rheb G63A mutant bound to GTP · the same entry in another collection · chain A against A, TM-score 1.00
Q921J2 · AlphaFold monomer V2.0 prediction for GTP-binding protein rheb (Q921J2) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q921J2
Elsewhere: RCSB PDB 4O2L · PDBe 4O2L · UniProt Q921J2

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