MolNFT v1 · #77418 · protein

Crystal structure of EHRHO1 bound to GDP and magnesium

3REF · Rho-like small GTPase: “Crystal structure of EHRHO1 bound to GDP and magnesium”. X-ray diffraction, 3 ligands (GDP, MG, SO4), 3 pockets (best druggability 0.56). MolNFT v1 #77418 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3REF
Type: protein
Length: 353 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rho-like small GTPase
UniProt: Q95TD4
Ligands: GDP, MG, SO4
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Rho-like small GTPase	protein	180	33% helix, 26% strand	Q95TD4
A	Rho-like small GTPase	protein	173	36% helix, 24% strand	Q95TD4

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, A
MG · Magnesium ion · metal · 2 copies · chains B, A
SO4 · Sulfate ion · ion · 3 copies · chains B, 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	336	0.56	0.75	43	SO4
2	166	0.49	0.78	33	GDP, MG
3	95	0.38	0.76	24	GDP, MG

Interfaces

1 interface between chains.

B–A · 527 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3REF · Crystal structure of EhRho1 bound to GDP and Magnesium · the same entry in another collection · chain B against B, 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 Q95TD4
Elsewhere: RCSB PDB 3REF · PDBe 3REF · UniProt Q95TD4

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