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Crystal structure of DRUG:PROTON antiporter-1 (DHA1) family sotb, in the inward open conformation

Analyse Crystal structure of DRUG:PROTON antiporter-1 (DHA1) family sotb, in the inward… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6KKJ
Type: protein
Length: 357 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sugar efflux transporter
UniProt: P31122
Ligands: BNG
Pockets: 2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Sugar efflux transporter	protein	357	84% helix, 0% strand	P31122

Ligands and binding sites

BNG · nonyl beta-D-glucopyranoside · ligand · 2 copies · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	925	0.83	0.84	64	empty
2	85	0.40	0.77	17	empty

Compared structures

6KKJ · Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open… · the same entry in another collection · chain B against B, TM-score 1.00
P31122 · AlphaFold monomer V2.0 prediction for sugar efflux transporter (P31122) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P31122
Elsewhere: RCSB PDB 6KKJ · PDBe 6KKJ · UniProt P31122

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