MolNFT v1 · #95369 · protein

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

4IO5: “Crystal structure of the AVGLUR1 ligand binding domain complex with alanine at 1.72 ångström resolution”. X-ray diffraction, 2 ligands (ALA, CL), 5 pockets (best druggability 0.76). MolNFT v1 #95369 on GenesisL1: 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

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 E9P5T5
Elsewhere: RCSB PDB 4IO5 · PDBe 4IO5 · UniProt E9P5T5

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