Research workbench
Structure of pffnt in complex with MMV007839
Analyse Structure of pffnt in complex with MMV007839 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7E27
- Type
- protein
- Length
- 1,435 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate-nitrite transporter
- UniProt
- O77389
- Ligands
- HV6
- Pockets
- 17 · best druggability 0.87
Structure
electron microscopy · 1 distinct chain · 75% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Formate-nitrite transporter | protein | 287 | 75% helix, 1% strand | O77389 |
Ligands and binding sites
- HV6 · (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one · ligand · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.87 | 0.87 | 61 | empty |
| 2 | 518 | 0.79 | 0.86 | 52 | HV6 |
| 3 | 538 | 0.79 | 0.85 | 51 | HV6 |
| 4 | 486 | 0.79 | 0.86 | 50 | HV6 |
| 5 | 509 | 0.79 | 0.86 | 51 | HV6 |
Interfaces
10 interfaces between chains.
- B–D · 2088 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 2087 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 2074 Ų buried · 11 hydrogen bonds · protein-protein
- C–E · 2069 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 2050 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7E27 · Structure of PfFNT in complex with MMV007839 · 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 O77389
- Elsewhere: RCSB PDB 7E27 · PDBe 7E27 · UniProt O77389
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