MolNFT v1 · #81494 · protein

Crystal structure of leut bound to L-leucine in space group P21 from lipid bicelles

3USJ · Transporter: “Crystal structure of leut bound to L-leucine in space group P21 from lipid bicelles”. X-ray diffraction, 2 ligands (LEU, NA), 12 pockets (best druggability 0.75). MolNFT v1 #81494 on GenesisL1: 3D structure, binding…

PDB: 3USJ
Type: protein
Length: 1,004 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transporter
UniProt: O67854
Ligands: LEU, NA
Pockets: 12 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Transporter	protein	502	78% helix, 1% strand	O67854

Ligands and binding sites

LEU · Leucine · ligand · 2 copies · chains A, B
NA · Sodium ion · metal · 4 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	930	0.75	0.78	60	empty
2	526	0.69	0.79	56	empty
3	497	0.68	0.78	50	empty
4	65	0.52	0.86	15	empty
5	68	0.52	0.86	14	empty

Interfaces

1 interface between chains.

A–B · 887 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3USJ · Crystal structure of LeuT bound to L-leucine in space group P21 from lipid bicelles · 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 O67854
Elsewhere: RCSB PDB 3USJ · PDBe 3USJ · UniProt O67854

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