Research workbench
Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (lipidic cubic phase form)
Analyse Crystal structure of the bacterial nss member mhst in an occluded inward-facing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4US4
- Type
- protein
- Length
- 433 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter
- UniProt
- Q9KDT3
- Ligands
- 78M, TRP, 78N, NA
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter | protein | 433 | 79% helix, 0% strand | Q9KDT3 |
Ligands and binding sites
- 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 2 copies · chains A
- TRP · Tryptophan · ligand · chains A
- 78N · (2R)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · chains A
- NA · Sodium ion · metal · 2 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.72 | 0.99 | 21 | TRP |
| 2 | 149 | 0.51 | 0.79 | 20 | empty |
| 3 | 131 | 0.45 | 0.77 | 23 | empty |
| 4 | 82 | 0.41 | 0.78 | 15 | empty |
| 5 | 67 | 0.30 | 0.74 | 15 | empty |
Compared structures
- 4US4 · Crystal Structure of the Bacterial NSS Member MhsT in an Occluded Inward-Facing State… · 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 Q9KDT3
- Elsewhere: RCSB PDB 4US4 · PDBe 4US4 · UniProt Q9KDT3
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