MolNFT v1 · #136100 · protein
X-ray structure of the W305A variant of the fdtf N-formyltransferase from salmonella enteric O60
5UIN: “X-ray structure of the W305A variant of the fdtf N-formyltransferase from salmonella enteric O60”. X-ray diffraction, 4 ligands (TYD, FON, NA), 8 pockets (best druggability 0.74). MolNFT v1 #136100 on GenesisL1: 3D structure…
- PDB
- 5UIN
- Type
- protein
- Length
- 797 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formyltransferase
- UniProt
- U3GK13
- Ligands
- TYD, FON, NA, CL
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formyltransferase | protein | 399 | 36% helix, 18% strand | U3GK13 |
| B | Formyltransferase | protein | 398 | 36% helix, 18% strand | U3GK13 |
Ligands and binding sites
- TYD · Thymidine-5'-diphosphate · ligand · 2 copies · chains A, B
- FON · N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 6 copies · chains A, B
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 580 | 0.74 | 0.81 | 64 | TYD, FON |
| 2 | 527 | 0.73 | 0.81 | 54 | TYD, FON |
| 3 | 730 | 0.72 | 0.78 | 52 | empty |
| 4 | 652 | 0.68 | 0.77 | 75 | empty |
| 5 | 353 | 0.57 | 0.75 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 1363 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 5UIN · X-ray structure of the W305A variant of the FdtF N-formyltransferase from salmonella… · the same entry in another collection · chain B against B, 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 U3GK13
- Elsewhere: RCSB PDB 5UIN · PDBe 5UIN · UniProt U3GK13
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