MolNFT v1 · #3009 · protein

Solution structure of CDC42 in complex with the GTPase binding domain of wasp

1CEE · GTP-binding rho-like protein: “Solution structure of CDC42 in complex with the GTPase binding domain of wasp”. Solution nmr, 2 ligands (GCP, MG), 4 pockets (best druggability 0.41). MolNFT v1 #3009 on GenesisL1: 3D structure…

PDB: 1CEE
Type: protein
Length: 238 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTP-binding rho-like protein; Wiskott-aldrich syndrome protein wasp
UniProt: P60953, P42768
Ligands: GCP, MG
Pockets: 4 · best druggability 0.41

Structure

solution nmr · 2 distinct chains · 29% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTP-binding rho-like protein	protein	179	35% helix, 23% strand	P60953
B	Wiskott-aldrich syndrome protein wasp	protein	59	12% helix, 10% strand	P42768

Ligands and binding sites

GCP · Phosphomethylphosphonic acid guanylate ester · 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

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	130	0.41	0.75	22	empty
2	81	0.37	0.77	20	empty
3	68	0.36	0.77	22	empty
4	69	0.34	0.76	12	GCP

Interfaces

1 interface between chains.

A–B · 1453 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

1CEE · Solution structure of CDC42 in complex with the GTPase binding domain of wasp · the same entry in another collection · chain B against B, TM-score 1.00
P60953 · AlphaFold monomer V2.0 prediction for cell division control protein 42 homolog (P60953) · a predicted model of the same protein · chain A against A, TM-score 0.91
P42768 · AlphaFold monomer V2.0 prediction for wiskott-aldrich syndrome protein (P42768) · a predicted model of the same protein · chain B against A, TM-score 0.39

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 P60953
Every structure of UniProt P42768
Elsewhere: RCSB PDB 1CEE · PDBe 1CEE · UniProt P60953 · UniProt P42768

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