MolNFT v1 · #147330 · protein

E. COLI D-GALACTONATE:PROTON symporter in the inward open form

6E9N · D-galactonate transport: “E. COLI D-GALACTONATE:PROTON symporter in the inward open form”. X-ray diffraction, 2 ligands (BNG, GCO), 6 pockets (best druggability 0.76). MolNFT v1 #147330 on GenesisL1: 3D structure, binding sites and…

PDB: 6E9N
Type: protein
Length: 818 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: D-galactonate transport
UniProt: J7QAK3
Ligands: BNG, GCO
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	D-galactonate transport	protein	409	80% helix, 0% strand	J7QAK3

Ligands and binding sites

BNG · nonyl beta-D-glucopyranoside · ligand · 5 copies · chains A, B
GCO · D-gluconic acid · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	731	0.76	0.81	59	GCO, BNG
2	705	0.75	0.80	49	BNG
3	310	0.61	0.78	36	empty
4	161	0.46	0.76	30	empty
5	95	0.41	0.77	13	empty

Interfaces

1 interface between chains.

A–B · 611 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6E9N · E. coli D-galactonate:proton symporter in the inward open form · 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 J7QAK3
Elsewhere: RCSB PDB 6E9N · PDBe 6E9N · UniProt J7QAK3

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