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Crystal structure of a pot family transporter in complex with prodrug valacyclovir

Analyse Crystal structure of a pot family transporter in complex with prodrug… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6GZ9
Type: protein
Length: 488 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptide ABC transporter permease
UniProt: A0A1L8Y4Q3
Ligands: TXC
Pockets: 4 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptide ABC transporter permease	protein	488	74% helix, 3% strand	A0A1L8Y4Q3

Ligands and binding sites

TXC · 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate · ligand · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1096	0.80	0.82	87	TXC
2	459	0.60	0.74	35	empty
3	80	0.50	0.83	17	empty
4	73	0.37	0.76	12	empty

Compared structures

6GZ9 · Crystal structure of a POT family transporter in complex with prodrug valacyclovir · the same entry in another collection · chain A against A, 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 A0A1L8Y4Q3
Elsewhere: RCSB PDB 6GZ9 · PDBe 6GZ9 · UniProt A0A1L8Y4Q3

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