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Crystal structure of the AVGLUR1 ligand binding domain complex with alanine at 1.72 ångström resolution

Analyse Crystal structure of the AVGLUR1 ligand binding domain complex with alanine at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IO5
Type: protein
Length: 484 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AVGLUR1 ligand binding domain
UniProt: E9P5T5
Ligands: ALA, CL
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AVGLUR1 ligand binding domain	protein	242	36% helix, 26% strand	E9P5T5
B	AVGLUR1 ligand binding domain	protein	242	35% helix, 29% strand	E9P5T5

Ligands and binding sites

ALA · Alanine · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · 6 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	253	0.76	0.89	48	CL
2	529	0.72	0.81	81	empty
3	175	0.56	0.80	28	empty
4	165	0.56	0.81	27	empty
5	62	0.45	0.83	21	empty

Interfaces

1 interface between chains.

A–B · 1256 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4IO5 · Crystal Structure of the AvGluR1 ligand binding domain complex with alanine at 1.72… · the same entry in another collection · chain B against B, TM-score 1.00

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Every structure of UniProt E9P5T5
Elsewhere: RCSB PDB 4IO5 · PDBe 4IO5 · UniProt E9P5T5

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