MolNFT v1 · #111989 · protein
Crystal structure of folt bound with folic acid
4Z7F · Folate ecf transporter: “Crystal structure of folt bound with folic acid”. X-ray diffraction, 1 ligand (FOL), 15 pockets (best druggability 0.84). MolNFT v1 #111989 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z7F
- Type
- protein
- Length
- 960 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Folate ecf transporter
- UniProt
- Q837A3
- Ligands
- FOL
- Pockets
- 15 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 67% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Folate ecf transporter | protein | 163 | 71% helix, 4% strand | Q837A3 |
| B | Folate ecf transporter | protein | 168 | 67% helix, 2% strand | Q837A3 |
| C | Folate ecf transporter | protein | 166 | 67% helix, 1% strand | Q837A3 |
| D | Folate ecf transporter | protein | 166 | 70% helix, 4% strand | Q837A3 |
| E | Folate ecf transporter | protein | 147 | 56% helix, 0% strand | Q837A3 |
| F | Folate ecf transporter | protein | 150 | 71% helix, 0% strand | Q837A3 |
Ligands and binding sites
- FOL · Folic acid · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 635 | 0.84 | 0.88 | 47 | FOL |
| 2 | 676 | 0.83 | 0.87 | 52 | FOL |
| 3 | 939 | 0.82 | 0.83 | 69 | FOL |
| 4 | 935 | 0.82 | 0.83 | 77 | FOL |
| 5 | 686 | 0.81 | 0.85 | 49 | FOL |
Interfaces
4 interfaces between chains.
- A–B · 678 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 656 Ų buried · 0 hydrogen bonds · protein-protein
- E–F · 480 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 90 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4Z7F · Crystal structure of FolT bound with folic acid · the same entry in another collection · chain C against C, 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 Q837A3
- Elsewhere: RCSB PDB 4Z7F · PDBe 4Z7F · UniProt Q837A3
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