MolNFT v1 · #5150 · protein

Structure of the RAC/P67PHOX complex

1E96 · RAS-related C3 botulinum toxin substrate 1: “Structure of the RAC/P67PHOX complex”. X-ray diffraction, 2 ligands (GTP, MG), 3 pockets (best druggability 0.71). MolNFT v1 #5150 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1E96
Type: protein
Length: 363 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RAS-related C3 botulinum toxin substrate 1; Neutrophil cytosol factor 2 (ncf-2) tpr…
UniProt: P15154, P19878
Ligands: GTP, MG
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RAS-related C3 botulinum toxin substrate 1	protein	178	40% helix, 26% strand	P15154
B	Neutrophil cytosol factor 2 (ncf-2) tpr domain, residues 1- 203	protein	185	65% helix, 3% strand	P19878

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

3 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	506	0.71	0.80	63	GTP, MG
2	78	0.53	0.85	18	empty
3	53	0.33	0.77	10	empty

Interfaces

1 interface between chains.

A–B · 607 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

1E96 · Structure of the Rac/p67phox complex · the same entry in another collection · chain A against A, TM-score 1.00
P19878 · AlphaFold monomer V2.0 prediction for neutrophil cytosol factor 2 (P19878) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P15154
Every structure of UniProt P19878
Elsewhere: RCSB PDB 1E96 · PDBe 1E96 · UniProt P15154 · UniProt P19878

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