MolNFT v1 · #110743 · protein
Structure of FTMOX1 apo with metal iron
4Y5T · Verruculogen synthase: “Structure of FTMOX1 apo with metal iron”. X-ray diffraction, 3 ligands (FE2, CO, SO4), 6 pockets (best druggability 0.77). MolNFT v1 #110743 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Y5T
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Verruculogen synthase
- EC
- 1.14.11.38
- UniProt
- Q4WAW9
- Ligands
- FE2, CO, SO4
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Verruculogen synthase (EC 1.14.11.38) | protein | 289 | 26% helix, 23% strand | Q4WAW9 |
| B | Verruculogen synthase (EC 1.14.11.38) | protein | 285 | 26% helix, 24% strand | Q4WAW9 |
Ligands and binding sites
- FE2 · Fe (II) ion · metal · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.77 | 0.98 | 23 | empty |
| 2 | 507 | 0.75 | 0.83 | 51 | FE2, MES |
| 3 | 521 | 0.74 | 0.82 | 50 | FE2, SO4 |
| 4 | 235 | 0.56 | 0.78 | 22 | empty |
| 5 | 219 | 0.52 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2556 Ų buried · 49 hydrogen bonds · protein-protein
Compared structures
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 Q4WAW9
- Elsewhere: RCSB PDB 4Y5T · PDBe 4Y5T · UniProt Q4WAW9
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