MolNFT v1 · #104953 · protein
Crystal structure of the formolase fls in space group P 43 21 2
4QQ8: “Crystal structure of the formolase fls in space group P 43 21 2”. X-ray diffraction, 2 ligands (TPP, MG), 20 pockets (best druggability 0.82). MolNFT v1 #104953 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QQ8
- Type
- protein
- Length
- 2,264 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formolase
- UniProt
- Q9F4L3
- Ligands
- TPP, MG
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Formolase | protein | 563 | 46% helix, 17% strand | Q9F4L3 |
| C, D | Formolase | protein | 569 | 45% helix, 17% strand | Q9F4L3 |
Ligands and binding sites
- TPP · Thiamine diphosphate · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 351 | 0.82 | 0.92 | 69 | empty |
| 2 | 286 | 0.80 | 0.92 | 58 | empty |
| 3 | 178 | 0.80 | 0.95 | 41 | MG, TPP |
| 4 | 199 | 0.78 | 0.93 | 44 | MG, TPP |
| 5 | 658 | 0.78 | 0.83 | 97 | MG, TPP |
Interfaces
6 interfaces between chains.
- C–D · 3337 Ų buried · 54 hydrogen bonds · protein-protein
- A–B · 3321 Ų buried · 54 hydrogen bonds · protein-protein
- B–D · 1198 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1196 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 603 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4QQ8 · Crystal structure of the formolase FLS in space group P 43 21 2 · 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 Q9F4L3
- Elsewhere: RCSB PDB 4QQ8 · PDBe 4QQ8 · UniProt Q9F4L3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.