MolNFT v1 · #168881 · protein

Structure of the laindy-malate complex

6WU2 · Dass family sodium-coupled anion symporter: “Structure of the laindy-malate complex”. Electron microscopy, 1 ligand (D10), 14 pockets (best druggability 0.71). MolNFT v1 #168881 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6WU2
Type: protein
Length: 978 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dass family sodium-coupled anion symporter
UniProt: A0A3A9Y7Q2
Ligands: D10
Pockets: 14 · best druggability 0.71

Structure

electron microscopy · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Dass family sodium-coupled anion symporter	protein	489	72% helix, 0% strand	A0A3A9Y7Q2

Ligands and binding sites

D10 · Decane · ligand · 2 copies · chains A, B
HEX · Hexane · additive · 6 copies · chains A, B
OCT · N-octane · additive · 2 copies · chains A, B

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

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	580	0.71	0.79	76	empty
2	425	0.69	0.81	64	empty
3	138	0.59	0.83	21	HEX
4	172	0.58	0.81	25	HEX
5	317	0.57	0.76	35	empty

Interfaces

1 interface between chains.

A–B · 2756 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6WU2 · Structure of the LaINDY-malate complex · 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 A0A3A9Y7Q2
Elsewhere: RCSB PDB 6WU2 · PDBe 6WU2 · UniProt A0A3A9Y7Q2

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