MolNFT v1 · #93343 · protein

Crystal structure of RAC1 F28L mutant

4GZM · RAS-related C3 botulinum toxin substrate 1: “Crystal structure of RAC1 F28L mutant”. X-ray diffraction, 2 ligands (GSP, MG), 4 pockets (best druggability 0.63). MolNFT v1 #93343 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4GZM
Type: protein
Length: 348 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RAS-related C3 botulinum toxin substrate 1
EC: 3.6.5.2
UniProt: P63000
Ligands: GSP, MG
Pockets: 4 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	RAS-related C3 botulinum toxin substrate 1 (EC 3.6.5.2)	protein	174	37% helix, 24% strand	P63000

Ligands and binding sites

GSP · 5'-guanosine-diphosphate-monothiophosphate · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	234	0.63	0.82	30	empty
2	173	0.55	0.80	31	GSP, MG
3	177	0.55	0.79	29	GSP, MG
4	231	0.52	0.76	28	empty

Interfaces

1 interface between chains.

A–B · 480 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4GZM · Crystal structure of RAC1 F28L mutant · 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 P63000
Elsewhere: RCSB PDB 4GZM · PDBe 4GZM · UniProt P63000

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