MolNFT v1 · #154726 · protein
Crystal structure of DRUG:PROTON antiporter-1 (DHA1) family sotb, in the inward-occluded conformation
6KKI · Sugar efflux transporter: “Crystal structure of DRUG:PROTON antiporter-1 (DHA1) family sotb, in the inward-occluded conformation”. X-ray diffraction, 2 ligands (BNG, IPT), 4 pockets (best druggability 0.83). MolNFT v1 #154726 on…
- PDB
- 6KKI
- Type
- protein
- Length
- 366 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sugar efflux transporter
- UniProt
- P31122
- Ligands
- BNG, IPT
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 86% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sugar efflux transporter | protein | 366 | 86% helix, 0% strand | P31122 |
Ligands and binding sites
- BNG · nonyl beta-D-glucopyranoside · ligand · 2 copies · chains A
- IPT · 1-methylethyl 1-thio-beta-D-galactopyranoside · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.83 | 0.96 | 28 | IPT |
| 2 | 301 | 0.58 | 0.77 | 40 | empty |
| 3 | 118 | 0.53 | 0.82 | 23 | empty |
| 4 | 101 | 0.39 | 0.75 | 20 | empty |
Compared structures
- 6KKI · Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward-occluded… · the same entry in another collection · chain A against A, TM-score 1.00
- P31122 · AlphaFold monomer V2.0 prediction for sugar efflux transporter (P31122) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 6KKI · PDBe 6KKI · UniProt P31122
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