MolNFT v1 · #139638 · protein

Crystal structure of uraa in occluded conformation

5XLS · Uracil permease: “Crystal structure of uraa in occluded conformation”. X-ray diffraction, 2 ligands (KEG, URA), 5 pockets (best druggability 0.52). MolNFT v1 #139638 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5XLS
Type: protein
Length: 408 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uracil permease
UniProt: P0AGM8
Ligands: KEG, URA
Pockets: 5 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uracil permease	protein	408	72% helix, 4% strand	P0AGM8

Ligands and binding sites

KEG · 12-tungstophosphate · ligand · 2 copies · chains A
URA · Uracil · ligand · chains A

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

Pockets

5 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	195	0.52	0.77	31	empty
2	126	0.51	0.80	27	empty
3	64	0.37	0.78	20	empty
4	53	0.33	0.77	14	empty
5	57	0.28	0.74	14	empty

Compared structures

5XLS · Crystal structure of UraA in occluded conformation · the same entry in another collection · chain A against A, TM-score 1.00
P0AGM8 · AlphaFold monomer V2.0 prediction for uracil permease (P0AGM8) · a predicted model of the same protein · chain A against A, TM-score 0.90

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 P0AGM8
Elsewhere: RCSB PDB 5XLS · PDBe 5XLS · UniProt P0AGM8

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