MolNFT v1 · #179507 · protein
Crystal structure of a membrane protein
7K7M · Drug exporters of the rnd superfamily-like protein: “Crystal structure of a membrane protein”. X-ray diffraction, 2 ligands (U2D, GLC), 14 pockets (best druggability 0.80). MolNFT v1 #179507 on GenesisL1: 3D structure, binding sites…
- PDB
- 7K7M
- Type
- protein
- Length
- 1,513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Drug exporters of the rnd superfamily-like protein
- UniProt
- I7G2R2
- Ligands
- U2D, GLC
- Pockets
- 14 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Drug exporters of the rnd superfamily-like protein | protein | 756 | 66% helix, 6% strand | I7G2R2 |
| B | Drug exporters of the rnd superfamily-like protein | protein | 757 | 65% helix, 6% strand | I7G2R2 |
Ligands and binding sites
- U2D · 6-O-decanoyl-alpha-D-glucopyranose · ligand · 4 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 4 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1173 | 0.80 | 0.82 | 95 | U2D, GLC |
| 2 | 1054 | 0.78 | 0.80 | 77 | U2D, GLC |
| 3 | 64 | 0.65 | 0.93 | 20 | empty |
| 4 | 57 | 0.64 | 0.93 | 18 | empty |
| 5 | 194 | 0.61 | 0.82 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 294 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7K7M · Crystal Structure of a membrane protein · 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 I7G2R2
- Elsewhere: RCSB PDB 7K7M · PDBe 7K7M · UniProt I7G2R2
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