MolNFT v1 · #181294 · protein

Crystal structure of leut bound to L-alanine

7LQJ · NA(+):NEUROTRANSMITTER symporter (snf family): “Crystal structure of leut bound to L-alanine”. X-ray diffraction, 2 ligands (ALA, NA), 5 pockets (best druggability 0.73). MolNFT v1 #181294 on GenesisL1: 3D structure, binding sites…

PDB: 7LQJ
Type: protein
Length: 505 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NA(+):NEUROTRANSMITTER symporter (snf family)
UniProt: O67854
Ligands: ALA, NA
Pockets: 5 · best druggability 0.73

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NA(+):NEUROTRANSMITTER symporter (snf family)	protein	505	78% helix, 1% strand	O67854

Ligands and binding sites

ALA · Alanine · ligand · chains A
NA · Sodium ion · metal · 2 copies · chains A
BOG · octyl beta-D-glucopyranoside · additive · 5 copies · 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	677	0.73	0.79	58	empty
2	72	0.52	0.85	14	empty
3	74	0.42	0.79	13	empty
4	75	0.32	0.73	10	empty
5	51	0.30	0.76	10	empty

Compared structures

7LQJ · Crystal structure of LeuT bound to L-Alanine · 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 7LQJ · PDBe 7LQJ · UniProt O67854

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