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Crystal structure of REM2 G-domain -GTP analog complex

Analyse Crystal structure of REM2 G-domain -GTP analog complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3Q85
Type: protein
Length: 300 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTP-binding protein rem 2
UniProt: Q8VEL9
Ligands: GNP, MG, SCN
Pockets: 5 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTP-binding protein rem 2	protein	149	38% helix, 28% strand	Q8VEL9
B	GTP-binding protein rem 2	protein	151	38% helix, 28% strand	Q8VEL9

Ligands and binding sites

GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
SCN · Thiocyanate ion · ion · 3 copies · chains A, B

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

Pockets

5 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	58	0.39	0.80	19	SCN
2	64	0.39	0.79	19	SCN
3	56	0.34	0.78	11	SCN
4	75	0.32	0.74	15	empty
5	72	0.27	0.71	14	empty

Interfaces

1 interface between chains.

A–B · 93 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3Q85 · Crystal Structure of Rem2 G-domain -GTP Analog Complex · the same entry in another collection · chain A against A, TM-score 1.00
Q8VEL9 · AlphaFold monomer V2.0 prediction for GTP-binding protein rem 2 (Q8VEL9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q8VEL9
Elsewhere: RCSB PDB 3Q85 · PDBe 3Q85 · UniProt Q8VEL9

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