MolNFT v1 · #113107 · protein
Crystal structure of FTHFS2 from T.ACETOXYDANS RE1
5A5G · Formate--tetrahydrofolate ligase: “Crystal structure of FTHFS2 from T.ACETOXYDANS RE1”. X-ray diffraction, 1 ligand (K), 11 pockets (best druggability 0.74). MolNFT v1 #113107 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5A5G
- Type
- protein
- Length
- 1,107 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate--tetrahydrofolate ligase
- EC
- 6.3.4.3
- UniProt
- F4LTH5
- Ligands
- K
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formate--tetrahydrofolate ligase (EC 6.3.4.3) | protein | 552 | 37% helix, 20% strand | F4LTH5 |
| B | Formate--tetrahydrofolate ligase (EC 6.3.4.3) | protein | 555 | 37% helix, 20% strand | F4LTH5 |
Ligands and binding sites
- K · Potassium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.74 | 0.82 | 67 | empty |
| 2 | 92 | 0.73 | 0.95 | 21 | empty |
| 3 | 889 | 0.73 | 0.77 | 66 | empty |
| 4 | 733 | 0.70 | 0.77 | 58 | empty |
| 5 | 428 | 0.67 | 0.80 | 50 | K |
Interfaces
1 interface between chains.
- A–B · 3163 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
- 5A5G · Crystal structure of FTHFS2 from T.acetoxydans Re1 · 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 F4LTH5
- Elsewhere: RCSB PDB 5A5G · PDBe 5A5G · UniProt F4LTH5
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